7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane

C32H35N9O3 — CID 163273387

IUPAC7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CC4)COC5)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1
InChIInChI=1S/C32H35N9O3/c1-19-22-14-34-41(25(22)11-24(35-19)23-13-33-7-4-27(23)42-3)28-12-26-29(30(36-28)40-15-21-10-20(40)16-44-21)37-31(38(26)2)39-8-5-32(6-9-39)17-43-18-32/h4,7,11-14,20-21H,5-6,8-10,15-18H2,1-3H3/t20-,21-/m1/s1
InChIKeyYUFPAVSTNCHNEW-NHCUHLMSSA-N
MW593.69 g/mol
LogP3.68
Rot. Bonds5

About 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane

7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 163273387) has the molecular formula C32H35N9O3 and a molecular weight of 593.69 g/mol. Its IUPAC name is 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID163273387
Molecular FormulaC32H35N9O3
Molecular Weight593.69 g/mol
Exact Mass593.29
IUPAC Name7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CC4)COC5)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1
InChIInChI=1S/C32H35N9O3/c1-19-22-14-34-41(25(22)11-24(35-19)23-13-33-7-4-27(23)42-3)28-12-26-29(30(36-28)40-15-21-10-20(40)16-44-21)37-31(38(26)2)39-8-5-32(6-9-39)17-43-18-32/h4,7,11-14,20-21H,5-6,8-10,15-18H2,1-3H3/t20-,21-/m1/s1
InChIKeyYUFPAVSTNCHNEW-NHCUHLMSSA-N
XLogP3.68
TPSA108.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane (CID 163273387) is 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CC4)COC5)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1.
What is the InChIKey of 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is YUFPAVSTNCHNEW-NHCUHLMSSA-N. The full InChI is InChI=1S/C32H35N9O3/c1-19-22-14-34-41(25(22)11-24(35-19)23-13-33-7-4-27(23)42-3)28-12-26-29(30(36-28)40-15-21-10-20(40)16-44-21)37-31(38(26)2)39-8-5-32(6-9-39)17-43-18-32/h4,7,11-14,20-21H,5-6,8-10,15-18H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane?
7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 593.69 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 163273387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).