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

C24H31N7O4 — CID 137449556

IUPACN-[(1S,3S)-3-hydroxycyclohexyl]-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]3CCC[C@H](O)C3)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(28-19-8-3-9-30(24(19)34)16-6-4-10-35-14-16)29-22-18(13-26-31(21)22)23(33)27-15-5-2-7-17(32)11-15/h3,8-9,12-13,15-17,25,32H,2,4-7,10-11,14H2,1H3,(H,27,33)(H,28,29)/t15-,16-,17-/m0/s1
InChIKeyUKRJUZZIVHQTEV-ULQDDVLXSA-N
MW481.56 g/mol
LogP2.06
Rot. Bonds6

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

N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449556) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449556
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC NameN-[(1S,3S)-3-hydroxycyclohexyl]-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]3CCC[C@H](O)C3)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(28-19-8-3-9-30(24(19)34)16-6-4-10-35-14-16)29-22-18(13-26-31(21)22)23(33)27-15-5-2-7-17(32)11-15/h3,8-9,12-13,15-17,25,32H,2,4-7,10-11,14H2,1H3,(H,27,33)(H,28,29)/t15-,16-,17-/m0/s1
InChIKeyUKRJUZZIVHQTEV-ULQDDVLXSA-N
XLogP2.06
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclohexyl]-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-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449556) is N-[(1S,3S)-3-hydroxycyclohexyl]-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-[(1S,3S)-3-hydroxycyclohexyl]-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-[(1S,3S)-3-hydroxycyclohexyl]-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]3CCC[C@H](O)C3)cnn12.
What is the InChIKey of N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UKRJUZZIVHQTEV-ULQDDVLXSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-12-20(28-19-8-3-9-30(24(19)34)16-6-4-10-35-14-16)29-22-18(13-26-31(21)22)23(33)27-15-5-2-7-17(32)11-15/h3,8-9,12-13,15-17,25,32H,2,4-7,10-11,14H2,1H3,(H,27,33)(H,28,29)/t15-,16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,3S)-3-hydroxycyclohexyl]-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 481.56 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxycyclohexyl]-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 137449556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).