4-[2-[(3S)-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 164514170

IUPAC4-[2-[(3S)-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([C@@H]4CN(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/t19-/m0/s1
InChIKeyMTTQQSKUNRLTDW-IBGZPJMESA-N
MW589.65 g/mol
LogP3.97
Rot. Bonds5

About 4-[2-[(3S)-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-[(3S)-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 164514170) has the molecular formula C30H33F2N9O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 4-[2-[(3S)-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-[(3S)-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 CID164514170
Molecular FormulaC30H33F2N9O2
Molecular Weight589.65 g/mol
Exact Mass589.27
IUPAC Name4-[2-[(3S)-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([C@@H]4CN(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/t19-/m0/s1
InChIKeyMTTQQSKUNRLTDW-IBGZPJMESA-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-[(3S)-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-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-[(3S)-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 164514170) is 4-[2-[(3S)-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-[(3S)-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-[(3S)-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([C@@H]4CN(C)CC(F)(F)C4)n3C)c(N3CCOCC3)n2)c(C)n1.
What is the InChIKey of 4-[2-[(3S)-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-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of 4-[2-[(3S)-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-[(3S)-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-[(3S)-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 164514170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).