N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H35N7O4 — CID 139373396

IUPACN-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C3CCC(C)(OC)CC3)C2O)nc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C25H35N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,24,26,33,35H,6-11H2,1-3H3,(H,28,30)(H,29,34)
InChIKeyMEEOWSCFSSLONK-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.82
Rot. Bonds7

About N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139373396) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139373396
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC NameN-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C3CCC(C)(OC)CC3)C2O)nc2c(C(=O)NC3CCC3O)cnn12
InChIInChI=1S/C25H35N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,24,26,33,35H,6-11H2,1-3H3,(H,28,30)(H,29,34)
InChIKeyMEEOWSCFSSLONK-UHFFFAOYSA-N
XLogP1.82
TPSA136.28 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139373396) is N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2=CC=CN(C3CCC(C)(OC)CC3)C2O)nc2c(C(=O)NC3CCC3O)cnn12.
What is the InChIKey of N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MEEOWSCFSSLONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,24,26,33,35H,6-11H2,1-3H3,(H,28,30)(H,29,34).
What are the key properties of N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 1.82, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-5-[[2-hydroxy-1-(4-methoxy-4-methylcyclohexyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139373396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).