4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine

C30H33F2N9O2 — CID 163273464

IUPAC4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C4CN(C)CC(F)(F)C4)n3C)c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C30H33F2N9O2/c1-18-20-15-34-41(23(20)11-22(35-18)21-14-33-6-5-25(21)42-4)26-12-24-27(29(36-26)40-7-9-43-10-8-40)37-28(39(24)3)19-13-30(31,32)17-38(2)16-19/h5-6,11-12,14-15,19H,7-10,13,16-17H2,1-4H3
InChIKeyMTTQQSKUNRLTDW-UHFFFAOYSA-N
MW589.65 g/mol
LogP3.97
Rot. Bonds5

About 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine

4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 163273464) has the molecular formula C30H33F2N9O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID163273464
Molecular FormulaC30H33F2N9O2
Molecular Weight589.65 g/mol
Exact Mass589.27
IUPAC Name4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C4CN(C)CC(F)(F)C4)n3C)c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C30H33F2N9O2/c1-18-20-15-34-41(23(20)11-22(35-18)21-14-33-6-5-25(21)42-4)26-12-24-27(29(36-26)40-7-9-43-10-8-40)37-28(39(24)3)19-13-30(31,32)17-38(2)16-19/h5-6,11-12,14-15,19H,7-10,13,16-17H2,1-4H3
InChIKeyMTTQQSKUNRLTDW-UHFFFAOYSA-N
XLogP3.97
TPSA99.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
WO2022090481, Example I-022
CID 163273430
US10954240, Example 17
CID 118930219
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
US9725449, Example 254
CID 122686624
US9725449, Example 257
CID 122686640
US9725449, Example 343
CID 122694945
WO2022090481, Example I-030
CID 164514170
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
N-[5-[4-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methoxy]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145983571
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145985568
7-Ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine
CID 155525518

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine (CID 163273464) is 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C4CN(C)CC(F)(F)C4)n3C)c(N3CCOCC3)n2)c(C)n1.
What is the InChIKey of 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is MTTQQSKUNRLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N9O2/c1-18-20-15-34-41(23(20)11-22(35-18)21-14-33-6-5-25(21)42-4)26-12-24-27(29(36-26)40-7-9-43-10-8-40)37-28(39(24)3)19-13-30(31,32)17-38(2)16-19/h5-6,11-12,14-15,19H,7-10,13,16-17H2,1-4H3.
What are the key properties of 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine?
4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 589.65 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 163273464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).