8-[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-8-azaspiro[4.5]decane

C33H37N9O3 — CID 164514243

IUPAC8-[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-8-azaspiro[4.5]decane
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CCOC5)CC4)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1
InChIInChI=1S/C33H37N9O3/c1-20-23-16-35-42(26(23)13-25(36-20)24-15-34-8-4-28(24)43-3)29-14-27-30(31(37-29)41-17-22-12-21(41)18-45-22)38-32(39(27)2)40-9-5-33(6-10-40)7-11-44-19-33/h4,8,13-16,21-22H,5-7,9-12,17-19H2,1-3H3/t21-,22-/m1/s1
InChIKeyNTJJEBXKYUPDBR-FGZHOGPDSA-N
MW607.72 g/mol
LogP4.07
Rot. Bonds5

About 8-[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-8-azaspiro[4.5]decane

8-[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-8-azaspiro[4.5]decane (PubChem CID 164514243) has the molecular formula C33H37N9O3 and a molecular weight of 607.72 g/mol. Its IUPAC name is 8-[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-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[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-8-azaspiro[4.5]decane
PubChem CID164514243
Molecular FormulaC33H37N9O3
Molecular Weight607.72 g/mol
Exact Mass607.30
IUPAC Name8-[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-8-azaspiro[4.5]decane
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CCOC5)CC4)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1
InChIInChI=1S/C33H37N9O3/c1-20-23-16-35-42(26(23)13-25(36-20)24-15-34-8-4-28(24)43-3)29-14-27-30(31(37-29)41-17-22-12-21(41)18-45-22)38-32(39(27)2)40-9-5-33(6-10-40)7-11-44-19-33/h4,8,13-16,21-22H,5-7,9-12,17-19H2,1-3H3/t21-,22-/m1/s1
InChIKeyNTJJEBXKYUPDBR-FGZHOGPDSA-N
XLogP4.07
TPSA108.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[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-8-azaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[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-8-azaspiro[4.5]decane?
The IUPAC name of 8-[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-8-azaspiro[4.5]decane (CID 164514243) is 8-[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-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[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-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[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-8-azaspiro[4.5]decane is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCC5(CCOC5)CC4)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1.
What is the InChIKey of 8-[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-8-azaspiro[4.5]decane?
The InChIKey is NTJJEBXKYUPDBR-FGZHOGPDSA-N. The full InChI is InChI=1S/C33H37N9O3/c1-20-23-16-35-42(26(23)13-25(36-20)24-15-34-8-4-28(24)43-3)29-14-27-30(31(37-29)41-17-22-12-21(41)18-45-22)38-32(39(27)2)40-9-5-33(6-10-40)7-11-44-19-33/h4,8,13-16,21-22H,5-7,9-12,17-19H2,1-3H3/t21-,22-/m1/s1.
What are the key properties of 8-[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-8-azaspiro[4.5]decane?
8-[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-8-azaspiro[4.5]decane has a molecular weight of 607.72 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[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-8-azaspiro[4.5]decane is sourced from PubChem (CID 164514243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).