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

C24H22N6O — CID 134807251

IUPAC4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)ccn1
InChIInChI=1S/C24H22N6O/c1-2-19-15-26-28-22(19)13-18(1)21-14-23-20(24(27-21)29-9-11-31-12-10-29)5-8-30(23)16-17-3-6-25-7-4-17/h1-8,13-15H,9-12,16H2,(H,26,28)
InChIKeyPCKRXUJCTIZTCH-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.86
Rot. Bonds4

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

4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134807251) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134807251
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)ccn1
InChIInChI=1S/C24H22N6O/c1-2-19-15-26-28-22(19)13-18(1)21-14-23-20(24(27-21)29-9-11-31-12-10-29)5-8-30(23)16-17-3-6-25-7-4-17/h1-8,13-15H,9-12,16H2,(H,26,28)
InChIKeyPCKRXUJCTIZTCH-UHFFFAOYSA-N
XLogP3.86
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.86
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-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134807251) is 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is c1cc(Cn2ccc3c(N4CCOCC4)nc(-c4ccc5cn[nH]c5c4)cc32)ccn1.
What is the InChIKey of 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is PCKRXUJCTIZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-19-15-26-28-22(19)13-18(1)21-14-23-20(24(27-21)29-9-11-31-12-10-29)5-8-30(23)16-17-3-6-25-7-4-17/h1-8,13-15H,9-12,16H2,(H,26,28).
What are the key properties of 4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 410.48 g/mol, XLogP of 3.86, 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-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134807251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).