4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

C31H33FN8O2S — CID 163273801

IUPAC4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCc1nc(-c2cnccc2OC2CC2)cc2c1cnn2-c1cc2sc(C3(F)CCN(C)CC3)nc2c(N2CCOCC2)n1
InChIInChI=1S/C31H33FN8O2S/c1-19-21-18-34-40(24(21)15-23(35-19)22-17-33-8-5-25(22)42-20-3-4-20)27-16-26-28(29(36-27)39-11-13-41-14-12-39)37-30(43-26)31(32)6-9-38(2)10-7-31/h5,8,15-18,20H,3-4,6-7,9-14H2,1-2H3
InChIKeyFKGAYTZASKXADI-UHFFFAOYSA-N
MW600.72 g/mol
LogP5.06
Rot. Bonds6

About 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 163273801) has the molecular formula C31H33FN8O2S and a molecular weight of 600.72 g/mol. Its IUPAC name is 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
PubChem CID163273801
Molecular FormulaC31H33FN8O2S
Molecular Weight600.72 g/mol
Exact Mass600.24
IUPAC Name4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCc1nc(-c2cnccc2OC2CC2)cc2c1cnn2-c1cc2sc(C3(F)CCN(C)CC3)nc2c(N2CCOCC2)n1
InChIInChI=1S/C31H33FN8O2S/c1-19-21-18-34-40(24(21)15-23(35-19)22-17-33-8-5-25(22)42-20-3-4-20)27-16-26-28(29(36-27)39-11-13-41-14-12-39)37-30(43-26)31(32)6-9-38(2)10-7-31/h5,8,15-18,20H,3-4,6-7,9-14H2,1-2H3
InChIKeyFKGAYTZASKXADI-UHFFFAOYSA-N
XLogP5.06
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-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-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (CID 163273801) is 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is Cc1nc(-c2cnccc2OC2CC2)cc2c1cnn2-c1cc2sc(C3(F)CCN(C)CC3)nc2c(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is FKGAYTZASKXADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2S/c1-19-21-18-34-40(24(21)15-23(35-19)22-17-33-8-5-25(22)42-20-3-4-20)27-16-26-28(29(36-27)39-11-13-41-14-12-39)37-30(43-26)31(32)6-9-38(2)10-7-31/h5,8,15-18,20H,3-4,6-7,9-14H2,1-2H3.
What are the key properties of 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 600.72 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(4-cyclopropyloxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 163273801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).