N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C21H22N6O — CID 168773055

IUPACN-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1cc2cc(-c3c[nH]c4nc(NC5CCC6(CCO6)CC5)ncc34)ccn2n1
InChIInChI=1S/C21H22N6O/c1-5-21(7-10-28-21)6-2-15(1)25-20-23-13-18-17(12-22-19(18)26-20)14-4-9-27-16(11-14)3-8-24-27/h3-4,8-9,11-13,15H,1-2,5-7,10H2,(H2,22,23,25,26)
InChIKeyRJKQILGFDMOVTB-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.79
Rot. Bonds3

About N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773055) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773055
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1cc2cc(-c3c[nH]c4nc(NC5CCC6(CCO6)CC5)ncc34)ccn2n1
InChIInChI=1S/C21H22N6O/c1-5-21(7-10-28-21)6-2-15(1)25-20-23-13-18-17(12-22-19(18)26-20)14-4-9-27-16(11-14)3-8-24-27/h3-4,8-9,11-13,15H,1-2,5-7,10H2,(H2,22,23,25,26)
InChIKeyRJKQILGFDMOVTB-UHFFFAOYSA-N
XLogP3.79
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773418
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772917
CID 174066440
CID 174066440
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175893243
1-[7-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772915
1-ethyl-4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773971
[4-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168773560
2,2-dimethyl-7-[2-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
CID 168773137
1-[4-[(5-cinnolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]ethanone
CID 168773965
N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168772563
5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773647

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773055) is N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is c1cc2cc(-c3c[nH]c4nc(NC5CCC6(CCO6)CC5)ncc34)ccn2n1.
What is the InChIKey of N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is RJKQILGFDMOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-5-21(7-10-28-21)6-2-15(1)25-20-23-13-18-17(12-22-19(18)26-20)14-4-9-27-16(11-14)3-8-24-27/h3-4,8-9,11-13,15H,1-2,5-7,10H2,(H2,22,23,25,26).
What are the key properties of N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).