2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C107H104F8N22O6 — CID 160704044

IUPAC2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ncc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(-c3ccccn3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2nc(OC3CCCC3)ncc2n1Cc1ccccn1
InChIInChI=1S/C28H24F2N6O.C28H30F2N6O.C28H29F2N5O2.C23H21F2N5O2/c1-17(2)25-24(28(37)34-14-18-9-10-21(29)22(30)13-18)20-15-33-26(23-8-4-6-12-32-23)35-27(20)36(25)16-19-7-3-5-11-31-19;1-17(2)25-24(27(37)32-14-18-10-11-22(29)23(30)13-18)21-15-33-28(34-19-7-3-4-8-19)35-26(21)36(25)16-20-9-5-6-12-31-20;1-17(2)26-24(27(36)32-14-18-10-11-21(29)22(30)13-18)25-23(35(26)16-19-7-5-6-12-31-19)15-33-28(34-25)37-20-8-3-4-9-20;1-13(2)21-19(22(31)27-10-14-6-7-16(24)17(25)9-14)20-18(11-28-23(32)29-20)30(21)12-15-5-3-4-8-26-15/h3-13,15,17H,14,16H2,1-2H3,(H,34,37);5-6,9-13,15,17,19H,3-4,7-8,14,16H2,1-2H3,(H,32,37)(H,33,34,35);5-7,10-13,15,17,20H,3-4,8-9,14,16H2,1-2H3,(H,32,36);3-9,11,13H,10,12H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyRQZIJSJJVYHWEO-UHFFFAOYSA-N
MW1946.14 g/mol
LogP19.86
Rot. Bonds29

About 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 160704044) has the molecular formula C107H104F8N22O6 and a molecular weight of 1946.14 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID160704044
Molecular FormulaC107H104F8N22O6
Molecular Weight1946.14 g/mol
Exact Mass1944.84
IUPAC Name2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ncc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(-c3ccccn3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2nc(OC3CCCC3)ncc2n1Cc1ccccn1
InChIInChI=1S/C28H24F2N6O.C28H30F2N6O.C28H29F2N5O2.C23H21F2N5O2/c1-17(2)25-24(28(37)34-14-18-9-10-21(29)22(30)13-18)20-15-33-26(23-8-4-6-12-32-23)35-27(20)36(25)16-19-7-3-5-11-31-19;1-17(2)25-24(27(37)32-14-18-10-11-22(29)23(30)13-18)21-15-33-28(34-19-7-3-4-8-19)35-26(21)36(25)16-20-9-5-6-12-31-20;1-17(2)26-24(27(36)32-14-18-10-11-21(29)22(30)13-18)25-23(35(26)16-19-7-5-6-12-31-19)15-33-28(34-25)37-20-8-3-4-9-20;1-13(2)21-19(22(31)27-10-14-6-7-16(24)17(25)9-14)20-18(11-28-23(32)29-20)30(21)12-15-5-3-4-8-26-15/h3-13,15,17H,14,16H2,1-2H3,(H,34,37);5-6,9-13,15,17,19H,3-4,7-8,14,16H2,1-2H3,(H,32,37)(H,33,34,35);5-7,10-13,15,17,20H,3-4,8-9,14,16H2,1-2H3,(H,32,36);3-9,11,13H,10,12H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyRQZIJSJJVYHWEO-UHFFFAOYSA-N
XLogP19.86
TPSA344.92 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.14
LogP ≤ 519.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 160704044) is 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ncc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(-c3ccccn3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2nc(OC3CCCC3)ncc2n1Cc1ccccn1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is RQZIJSJJVYHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O.C28H30F2N6O.C28H29F2N5O2.C23H21F2N5O2/c1-17(2)25-24(28(37)34-14-18-9-10-21(29)22(30)13-18)20-15-33-26(23-8-4-6-12-32-23)35-27(20)36(25)16-19-7-3-5-11-31-19;1-17(2)25-24(27(37)32-14-18-10-11-22(29)23(30)13-18)21-15-33-28(34-19-7-3-4-8-19)35-26(21)36(25)16-20-9-5-6-12-31-20;1-17(2)26-24(27(36)32-14-18-10-11-21(29)22(30)13-18)25-23(35(26)16-19-7-5-6-12-31-19)15-33-28(34-25)37-20-8-3-4-9-20;1-13(2)21-19(22(31)27-10-14-6-7-16(24)17(25)9-14)20-18(11-28-23(32)29-20)30(21)12-15-5-3-4-8-26-15/h3-13,15,17H,14,16H2,1-2H3,(H,34,37);5-6,9-13,15,17,19H,3-4,7-8,14,16H2,1-2H3,(H,32,37)(H,33,34,35);5-7,10-13,15,17,20H,3-4,8-9,14,16H2,1-2H3,(H,32,36);3-9,11,13H,10,12H2,1-2H3,(H,27,31)(H,28,29,32).
What are the key properties of 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1946.14 g/mol, XLogP of 19.86, 29 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-2-pyridin-2-yl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 160704044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).