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

C24H31N7O4 — CID 139425670

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(29-22-16(13-26-31(21)22)23(33)28-17-9-10-19(17)32)27-18-4-3-11-30(24(18)34)14-5-7-15(35-2)8-6-14/h3-4,11-15,17,19,25,32H,5-10H2,1-2H3,(H,27,29)(H,28,33)/t14?,15?,17-,19-/m0/s1
InChIKeyOIMVPODDKMMKSB-WNQHEHQFSA-N
MW481.56 g/mol
LogP2.06
Rot. Bonds7

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

N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139425670) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139425670
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-12-20(29-22-16(13-26-31(21)22)23(33)28-17-9-10-19(17)32)27-18-4-3-11-30(24(18)34)14-5-7-15(35-2)8-6-14/h3-4,11-15,17,19,25,32H,5-10H2,1-2H3,(H,27,29)(H,28,33)/t14?,15?,17-,19-/m0/s1
InChIKeyOIMVPODDKMMKSB-WNQHEHQFSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139425670) is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OIMVPODDKMMKSB-WNQHEHQFSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-12-20(29-22-16(13-26-31(21)22)23(33)28-17-9-10-19(17)32)27-18-4-3-11-30(24(18)34)14-5-7-15(35-2)8-6-14/h3-4,11-15,17,19,25,32H,5-10H2,1-2H3,(H,27,29)(H,28,33)/t14?,15?,17-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-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 N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139425670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).