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

C24H26FN5O4 — CID 67955713

IUPAC4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C24H26FN5O4/c1-13-20(24(33)29-16-6-7-30(9-16)19(32)10-31)22-23(28-13)21(26-12-27-22)17-5-4-15(25)8-18(17)34-11-14-2-3-14/h4-5,8,12,14,16,28,31H,2-3,6-7,9-11H2,1H3,(H,29,33)/t16-/m1/s1
InChIKeyGEMRTVHLOPRMCL-MRXNPFEDSA-N
MW467.50 g/mol
LogP2.18
Rot. Bonds7

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

4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67955713) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67955713
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C24H26FN5O4/c1-13-20(24(33)29-16-6-7-30(9-16)19(32)10-31)22-23(28-13)21(26-12-27-22)17-5-4-15(25)8-18(17)34-11-14-2-3-14/h4-5,8,12,14,16,28,31H,2-3,6-7,9-11H2,1H3,(H,29,33)/t16-/m1/s1
InChIKeyGEMRTVHLOPRMCL-MRXNPFEDSA-N
XLogP2.18
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67955713) is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)CO)C1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is GEMRTVHLOPRMCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-13-20(24(33)29-16-6-7-30(9-16)19(32)10-31)22-23(28-13)21(26-12-27-22)17-5-4-15(25)8-18(17)34-11-14-2-3-14/h4-5,8,12,14,16,28,31H,2-3,6-7,9-11H2,1H3,(H,29,33)/t16-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67955713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).