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

C27H35ClN4O2 — CID 137464504

IUPAC2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C(C)(C)C(N)=O)CC4)cc3c2C(C)C)cn(C)c(=O)c1Cl
InChIInChI=1S/C27H35ClN4O2/c1-15(2)22-19-13-18(17-9-11-32(12-10-17)27(4,5)26(29)34)7-8-21(19)30-24(22)20-14-31(6)25(33)23(28)16(20)3/h7-8,13-15,17,30H,9-12H2,1-6H3,(H2,29,34)
InChIKeyIXYDCVUPFXQTKN-UHFFFAOYSA-N
MW483.06 g/mol
LogP5.06
Rot. Bonds5

About 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

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 (PubChem CID 137464504) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
PubChem CID137464504
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C(C)(C)C(N)=O)CC4)cc3c2C(C)C)cn(C)c(=O)c1Cl
InChIInChI=1S/C27H35ClN4O2/c1-15(2)22-19-13-18(17-9-11-32(12-10-17)27(4,5)26(29)34)7-8-21(19)30-24(22)20-14-31(6)25(33)23(28)16(20)3/h7-8,13-15,17,30H,9-12H2,1-6H3,(H2,29,34)
InChIKeyIXYDCVUPFXQTKN-UHFFFAOYSA-N
XLogP5.06
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
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
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
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-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1-ethyl-3,4-dimethylpyridin-2-one
CID 137464389
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
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
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
8-chloro-7-methyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137464195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2[nH]c3ccc(C4CCN(C(C)(C)C(N)=O)CC4)cc3c2C(C)C)cn(C)c(=O)c1Cl.
What is the InChIKey of 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?
The InChIKey is IXYDCVUPFXQTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-15(2)22-19-13-18(17-9-11-32(12-10-17)27(4,5)26(29)34)7-8-21(19)30-24(22)20-14-31(6)25(33)23(28)16(20)3/h7-8,13-15,17,30H,9-12H2,1-6H3,(H2,29,34).
What are the key properties of 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?
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 has a molecular weight of 483.06 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137464504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).