N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25N7O4 — CID 146560456

IUPACN-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3COC[C@@H]3O)cnn12
InChIInChI=1S/C23H25N7O4/c1-24-20-7-17(16-9-29(13-4-6-33-10-13)21-14(16)3-2-5-25-21)27-22-15(8-26-30(20)22)23(32)28-18-11-34-12-19(18)31/h2-3,5,7-9,13,18-19,24,31H,4,6,10-12H2,1H3,(H,28,32)/t13-,18?,19-/m0/s1
InChIKeyFCEXRVZUNBOKOX-IMWIMMFESA-N
MW463.50 g/mol
LogP1.24
Rot. Bonds5

About N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560456) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560456
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC NameN-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3COC[C@@H]3O)cnn12
InChIInChI=1S/C23H25N7O4/c1-24-20-7-17(16-9-29(13-4-6-33-10-13)21-14(16)3-2-5-25-21)27-22-15(8-26-30(20)22)23(32)28-18-11-34-12-19(18)31/h2-3,5,7-9,13,18-19,24,31H,4,6,10-12H2,1H3,(H,28,32)/t13-,18?,19-/m0/s1
InChIKeyFCEXRVZUNBOKOX-IMWIMMFESA-N
XLogP1.24
TPSA127.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560456) is N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3COC[C@@H]3O)cnn12.
What is the InChIKey of N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FCEXRVZUNBOKOX-IMWIMMFESA-N. The full InChI is InChI=1S/C23H25N7O4/c1-24-20-7-17(16-9-29(13-4-6-33-10-13)21-14(16)3-2-5-25-21)27-22-15(8-26-30(20)22)23(32)28-18-11-34-12-19(18)31/h2-3,5,7-9,13,18-19,24,31H,4,6,10-12H2,1H3,(H,28,32)/t13-,18?,19-/m0/s1.
What are the key properties of N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).