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

C24H31N7O4 — CID 137449764

IUPAC5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(27-16-6-5-11-30(24(16)34)17-7-3-4-8-18(17)32)29-22-14(13-26-31(21)22)23(33)28-15-9-10-19(15)35-2/h5-6,11-13,15,17-19,25,32H,3-4,7-10H2,1-2H3,(H,27,29)(H,28,33)/t15-,17-,18+,19-/m0/s1
InChIKeyFTQCEUGNMUDVHT-KANFNMMFSA-N
MW481.56 g/mol
LogP2.06
Rot. Bonds7

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

5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449764) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449764
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(27-16-6-5-11-30(24(16)34)17-7-3-4-8-18(17)32)29-22-14(13-26-31(21)22)23(33)28-15-9-10-19(15)35-2/h5-6,11-13,15,17-19,25,32H,3-4,7-10H2,1-2H3,(H,27,29)(H,28,33)/t15-,17-,18+,19-/m0/s1
InChIKeyFTQCEUGNMUDVHT-KANFNMMFSA-N
XLogP2.06
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
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

Analyze 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449764) is 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FTQCEUGNMUDVHT-KANFNMMFSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-12-20(27-16-6-5-11-30(24(16)34)17-7-3-4-8-18(17)32)29-22-14(13-26-31(21)22)23(33)28-15-9-10-19(15)35-2/h5-6,11-13,15,17-19,25,32H,3-4,7-10H2,1-2H3,(H,27,29)(H,28,33)/t15-,17-,18+,19-/m0/s1.
What are the key properties of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).