4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

C29H31N9O2S — CID 164514165

IUPAC4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@@H]5C[C@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C29H31N9O2S/c1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2/h4-5,11-14,18-19H,6-10,15-16H2,1-3H3/t18-,19-/m0/s1
InChIKeyPARMDTTWGLHDOG-OALUTQOASA-N
MW569.70 g/mol
LogP3.53
Rot. Bonds5

About 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 164514165) has the molecular formula C29H31N9O2S and a molecular weight of 569.70 g/mol. Its IUPAC name is 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
PubChem CID164514165
Molecular FormulaC29H31N9O2S
Molecular Weight569.70 g/mol
Exact Mass569.23
IUPAC Name4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@@H]5C[C@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C29H31N9O2S/c1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2/h4-5,11-14,18-19H,6-10,15-16H2,1-3H3/t18-,19-/m0/s1
InChIKeyPARMDTTWGLHDOG-OALUTQOASA-N
XLogP3.53
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (CID 164514165) is 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@@H]5C[C@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1.
What is the InChIKey of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is PARMDTTWGLHDOG-OALUTQOASA-N. The full InChI is InChI=1S/C29H31N9O2S/c1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2/h4-5,11-14,18-19H,6-10,15-16H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 569.70 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 164514165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).