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

C27H33N5O2 — CID 170760467

IUPAC2-[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
SMILESCC(C)c1c(-c2cn(C)c(=O)c3c2ccn3C)[nH]c2ccc(C3CCN(CC(N)=O)CC3)cc12
InChIInChI=1S/C27H33N5O2/c1-16(2)24-20-13-18(17-7-11-32(12-8-17)15-23(28)33)5-6-22(20)29-25(24)21-14-31(4)27(34)26-19(21)9-10-30(26)3/h5-6,9-10,13-14,16-17,29H,7-8,11-12,15H2,1-4H3,(H2,28,33)
InChIKeyXIQKKSQWUSMJBF-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.81
Rot. Bonds5

About 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

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 (PubChem CID 170760467) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID170760467
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-[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
SMILESCC(C)c1c(-c2cn(C)c(=O)c3c2ccn3C)[nH]c2ccc(C3CCN(CC(N)=O)CC3)cc12
InChIInChI=1S/C27H33N5O2/c1-16(2)24-20-13-18(17-7-11-32(12-8-17)15-23(28)33)5-6-22(20)29-25(24)21-14-31(4)27(34)26-19(21)9-10-30(26)3/h5-6,9-10,13-14,16-17,29H,7-8,11-12,15H2,1-4H3,(H2,28,33)
InChIKeyXIQKKSQWUSMJBF-UHFFFAOYSA-N
XLogP3.81
TPSA89.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142593912
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
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
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
2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594524
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
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-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
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
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
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
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c(-c2cn(C)c(=O)c3c2ccn3C)[nH]c2ccc(C3CCN(CC(N)=O)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is XIQKKSQWUSMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-16(2)24-20-13-18(17-7-11-32(12-8-17)15-23(28)33)5-6-22(20)29-25(24)21-14-31(4)27(34)26-19(21)9-10-30(26)3/h5-6,9-10,13-14,16-17,29H,7-8,11-12,15H2,1-4H3,(H2,28,33).
What are the key properties of 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?
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 has a molecular weight of 459.59 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170760467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).