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

C24H27N7O4 — CID 137449285

IUPACN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C24H27N7O4/c1-25-21-9-18(17-11-30(14-4-7-34-8-5-14)22-15(17)3-2-6-26-22)28-23-16(10-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2-3,6,9-11,14,19-20,25,32H,4-5,7-8,12-13H2,1H3,(H,29,33)/t19-,20+/m0/s1
InChIKeyVWCWMTLIHDMNSN-VQTJNVASSA-N
MW477.53 g/mol
LogP1.63
Rot. Bonds5

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

N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449285) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449285
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C24H27N7O4/c1-25-21-9-18(17-11-30(14-4-7-34-8-5-14)22-15(17)3-2-6-26-22)28-23-16(10-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2-3,6,9-11,14,19-20,25,32H,4-5,7-8,12-13H2,1H3,(H,29,33)/t19-,20+/m0/s1
InChIKeyVWCWMTLIHDMNSN-VQTJNVASSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449285) is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12.
What is the InChIKey of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWCWMTLIHDMNSN-VQTJNVASSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-25-21-9-18(17-11-30(14-4-7-34-8-5-14)22-15(17)3-2-6-26-22)28-23-16(10-27-31(21)23)24(33)29-19-12-35-13-20(19)32/h2-3,6,9-11,14,19-20,25,32H,4-5,7-8,12-13H2,1H3,(H,29,33)/t19-,20+/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-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-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).