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

C24H27N7O4 — CID 146383401

IUPACN-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12
InChIInChI=1S/C24H27N7O4/c1-25-21-8-18(17-10-30(14-4-3-7-34-11-14)22-15(17)5-2-6-26-22)28-23-16(9-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2,5-6,8-10,14,19-20,25,32H,3-4,7,11-13H2,1H3,(H,29,33)/t14-,19-,20+/m1/s1
InChIKeyJXXUWHRGESDDOL-XMCHAPAWSA-N
MW477.53 g/mol
LogP1.63
Rot. Bonds5

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

N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383401) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383401
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC NameN-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12
InChIInChI=1S/C24H27N7O4/c1-25-21-8-18(17-10-30(14-4-3-7-34-11-14)22-15(17)5-2-6-26-22)28-23-16(9-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2,5-6,8-10,14,19-20,25,32H,3-4,7,11-13H2,1H3,(H,29,33)/t14-,19-,20+/m1/s1
InChIKeyJXXUWHRGESDDOL-XMCHAPAWSA-N
XLogP1.63
TPSA127.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-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-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383401) is N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JXXUWHRGESDDOL-XMCHAPAWSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-25-21-8-18(17-10-30(14-4-3-7-34-11-14)22-15(17)5-2-6-26-22)28-23-16(9-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2,5-6,8-10,14,19-20,25,32H,3-4,7,11-13H2,1H3,(H,29,33)/t14-,19-,20+/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).