6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

C27H32N4O2 — CID 170760436

IUPAC6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)c1c(-c2cn(C)c(=O)c3[nH]ccc23)[nH]c2ccc(C3CCN(C4COC4)CC3)cc12
InChIInChI=1S/C27H32N4O2/c1-16(2)24-21-12-18(17-7-10-31(11-8-17)19-14-33-15-19)4-5-23(21)29-25(24)22-13-30(3)27(32)26-20(22)6-9-28-26/h4-6,9,12-13,16-17,19,28-29H,7-8,10-11,14-15H2,1-3H3
InChIKeyLROQKXYBQOYSEF-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.72
Rot. Bonds4

About 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 170760436) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID170760436
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)c1c(-c2cn(C)c(=O)c3[nH]ccc23)[nH]c2ccc(C3CCN(C4COC4)CC3)cc12
InChIInChI=1S/C27H32N4O2/c1-16(2)24-21-12-18(17-7-10-31(11-8-17)19-14-33-15-19)4-5-23(21)29-25(24)22-13-30(3)27(32)26-20(22)6-9-28-26/h4-6,9,12-13,16-17,19,28-29H,7-8,10-11,14-15H2,1-3H3
InChIKeyLROQKXYBQOYSEF-UHFFFAOYSA-N
XLogP4.72
TPSA66.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3,4-dimethyl-5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464632
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
2-[4-[2-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 170760467
1-methyl-3-[3-propan-2-yl-5-[1-(thian-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
CID 155796960
2,4,5-trimethyl-6-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridazin-3-one
CID 137464519
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 137464288
2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
CID 137464504
(4E,6E)-6-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-9,9a-dihydro-8H-cycloocta[d]imidazole-4-carbonitrile
CID 145431865
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
2-[4-[2-(5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 170760436) is 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is CC(C)c1c(-c2cn(C)c(=O)c3[nH]ccc23)[nH]c2ccc(C3CCN(C4COC4)CC3)cc12.
What is the InChIKey of 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is LROQKXYBQOYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-16(2)24-21-12-18(17-7-10-31(11-8-17)19-14-33-15-19)4-5-23(21)29-25(24)22-13-30(3)27(32)26-20(22)6-9-28-26/h4-6,9,12-13,16-17,19,28-29H,7-8,10-11,14-15H2,1-3H3.
What are the key properties of 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 444.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 170760436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).