N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O5 — CID 137449930

IUPACN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C22H27N7O5/c1-23-19-8-18(25-15-5-2-6-28(22(15)32)13-4-3-7-33-10-13)27-20-14(9-24-29(19)20)21(31)26-16-11-34-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,25,27)(H,26,31)/t13-,16-,17+/m0/s1
InChIKeySNXDPEODPOIPPI-RRQGHBQHSA-N
MW469.50 g/mol
LogP0.52
Rot. Bonds6

About N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449930) has the molecular formula C22H27N7O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449930
Molecular FormulaC22H27N7O5
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C22H27N7O5/c1-23-19-8-18(25-15-5-2-6-28(22(15)32)13-4-3-7-33-10-13)27-20-14(9-24-29(19)20)21(31)26-16-11-34-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,25,27)(H,26,31)/t13-,16-,17+/m0/s1
InChIKeySNXDPEODPOIPPI-RRQGHBQHSA-N
XLogP0.52
TPSA144.04 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449930) is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)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-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SNXDPEODPOIPPI-RRQGHBQHSA-N. The full InChI is InChI=1S/C22H27N7O5/c1-23-19-8-18(25-15-5-2-6-28(22(15)32)13-4-3-7-33-10-13)27-20-14(9-24-29(19)20)21(31)26-16-11-34-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,25,27)(H,26,31)/t13-,16-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).