4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine

C25H30N6O — CID 134805708

IUPAC4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)CC1
InChIInChI=1S/C25H30N6O/c1-29-7-4-18(5-8-29)17-31-9-6-21-24(31)15-22(27-25(21)30-10-12-32-13-11-30)19-2-3-20-16-26-28-23(20)14-19/h2-3,6,9,14-16,18H,4-5,7-8,10-13,17H2,1H3,(H,26,28)
InChIKeyXFIXHQITUPZCNA-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.76
Rot. Bonds4

About 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine

4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134805708) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134805708
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)CC1
InChIInChI=1S/C25H30N6O/c1-29-7-4-18(5-8-29)17-31-9-6-21-24(31)15-22(27-25(21)30-10-12-32-13-11-30)19-2-3-20-16-26-28-23(20)14-19/h2-3,6,9,14-16,18H,4-5,7-8,10-13,17H2,1H3,(H,26,28)
InChIKeyXFIXHQITUPZCNA-UHFFFAOYSA-N
XLogP3.76
TPSA62.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134805708) is 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine is CN1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)CC1.
What is the InChIKey of 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is XFIXHQITUPZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-29-7-4-18(5-8-29)17-31-9-6-21-24(31)15-22(27-25(21)30-10-12-32-13-11-30)19-2-3-20-16-26-28-23(20)14-19/h2-3,6,9,14-16,18H,4-5,7-8,10-13,17H2,1H3,(H,26,28).
What are the key properties of 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 430.56 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134805708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).