4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C26H30FN5O4 — CID 67957306

IUPAC4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCOCC(=O)N1C[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)C[C@H]1C
InChIInChI=1S/C26H30FN5O4/c1-14-8-18(10-32(14)21(33)12-35-3)31-26(34)22-15(2)30-25-23(28-13-29-24(22)25)19-9-17(27)6-7-20(19)36-11-16-4-5-16/h6-7,9,13-14,16,18,30H,4-5,8,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1
InChIKeyQXQUFOFIPQVTCB-RDTXWAMCSA-N
MW495.56 g/mol
LogP3.23
Rot. Bonds8

About 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67957306) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67957306
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC Name4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCOCC(=O)N1C[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)C[C@H]1C
InChIInChI=1S/C26H30FN5O4/c1-14-8-18(10-32(14)21(33)12-35-3)31-26(34)22-15(2)30-25-23(28-13-29-24(22)25)19-9-17(27)6-7-20(19)36-11-16-4-5-16/h6-7,9,13-14,16,18,30H,4-5,8,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1
InChIKeyQXQUFOFIPQVTCB-RDTXWAMCSA-N
XLogP3.23
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67957306) is 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is COCC(=O)N1C[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)C[C@H]1C.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is QXQUFOFIPQVTCB-RDTXWAMCSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-14-8-18(10-32(14)21(33)12-35-3)31-26(34)22-15(2)30-25-23(28-13-29-24(22)25)19-9-17(27)6-7-20(19)36-11-16-4-5-16/h6-7,9,13-14,16,18,30H,4-5,8,10-12H2,1-3H3,(H,31,34)/t14-,18-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,5R)-1-(2-methoxyacetyl)-5-methylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).