1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide

C28H32N6O2 — CID 158631586

IUPAC1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
SMILESCCc1cnc(N2CCC(Cc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1
InChIInChI=1S/C28H32N6O2/c1-2-20-17-31-28(32-18-20)33-11-7-21(8-12-33)15-22-3-6-26(30-19-22)34-13-9-23-16-24(4-5-25(23)34)27(36)29-10-14-35/h3-6,9,13,16-19,21,35H,2,7-8,10-12,14-15H2,1H3,(H,29,36)
InChIKeyHZGMJCYGAZSPGA-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.56
Rot. Bonds8

About 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide

1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide (PubChem CID 158631586) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
PubChem CID158631586
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
SMILESCCc1cnc(N2CCC(Cc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1
InChIInChI=1S/C28H32N6O2/c1-2-20-17-31-28(32-18-20)33-11-7-21(8-12-33)15-22-3-6-26(30-19-22)34-13-9-23-16-24(4-5-25(23)34)27(36)29-10-14-35/h3-6,9,13,16-19,21,35H,2,7-8,10-12,14-15H2,1H3,(H,29,36)
InChIKeyHZGMJCYGAZSPGA-UHFFFAOYSA-N
XLogP3.56
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide with MolForge

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Related Compounds

1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67616289
N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
CID 153352061
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide
CID 56848679
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742685
N-(2-hydroxyethyl)-4-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]benzotriazol-5-yl]benzamide
CID 57405422
5-bromo-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-c]pyridine
CID 86708176
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11632605

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The IUPAC name of 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide (CID 158631586) is 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide.
What is the SMILES notation for 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The canonical SMILES for 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide is CCc1cnc(N2CCC(Cc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1.
What is the InChIKey of 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The InChIKey is HZGMJCYGAZSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-2-20-17-31-28(32-18-20)33-11-7-21(8-12-33)15-22-3-6-26(30-19-22)34-13-9-23-16-24(4-5-25(23)34)27(36)29-10-14-35/h3-6,9,13,16-19,21,35H,2,7-8,10-12,14-15H2,1H3,(H,29,36).
What are the key properties of 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide is sourced from PubChem (CID 158631586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).