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

C24H26FN5O5 — CID 67956331

IUPAC4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-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]1CN(C(=O)CO)C[C@H]1O
InChIInChI=1S/C24H26FN5O5/c1-12-20(24(34)29-16-7-30(8-17(16)32)19(33)9-31)22-23(28-12)21(26-11-27-22)15-5-4-14(25)6-18(15)35-10-13-2-3-13/h4-6,11,13,16-17,28,31-32H,2-3,7-10H2,1H3,(H,29,34)/t16-,17-/m1/s1
InChIKeyYHHFVDRPGLIWAO-IAGOWNOFSA-N
MW483.50 g/mol
LogP1.16
Rot. Bonds7

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

4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67956331) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-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,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67956331
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-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]1CN(C(=O)CO)C[C@H]1O
InChIInChI=1S/C24H26FN5O5/c1-12-20(24(34)29-16-7-30(8-17(16)32)19(33)9-31)22-23(28-12)21(26-11-27-22)15-5-4-14(25)6-18(15)35-10-13-2-3-13/h4-6,11,13,16-17,28,31-32H,2-3,7-10H2,1H3,(H,29,34)/t16-,17-/m1/s1
InChIKeyYHHFVDRPGLIWAO-IAGOWNOFSA-N
XLogP1.16
TPSA140.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-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)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-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,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67956331) is 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-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,4R)-4-hydroxy-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,4R)-4-hydroxy-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]1CN(C(=O)CO)C[C@H]1O.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is YHHFVDRPGLIWAO-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-12-20(24(34)29-16-7-30(8-17(16)32)19(33)9-31)22-23(28-12)21(26-11-27-22)15-5-4-14(25)6-18(15)35-10-13-2-3-13/h4-6,11,13,16-17,28,31-32H,2-3,7-10H2,1H3,(H,29,34)/t16-,17-/m1/s1.
What are the key properties of 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67956331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).