4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide

C29H34N6O — CID 57405096

IUPAC4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCc1cnc(N2CCC(n3ncc4cc(-c5ccc(C(=O)N(C)C(C)C)cc5)ccc43)CC2)nc1
InChIInChI=1S/C29H34N6O/c1-5-21-17-30-29(31-18-21)34-14-12-26(13-15-34)35-27-11-10-24(16-25(27)19-32-35)22-6-8-23(9-7-22)28(36)33(4)20(2)3/h6-11,16-20,26H,5,12-15H2,1-4H3
InChIKeySLWUVEKOCRICBC-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.38
Rot. Bonds6

About 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide

4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 57405096) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID57405096
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCc1cnc(N2CCC(n3ncc4cc(-c5ccc(C(=O)N(C)C(C)C)cc5)ccc43)CC2)nc1
InChIInChI=1S/C29H34N6O/c1-5-21-17-30-29(31-18-21)34-14-12-26(13-15-34)35-27-11-10-24(16-25(27)19-32-35)22-6-8-23(9-7-22)28(36)33(4)20(2)3/h6-11,16-20,26H,5,12-15H2,1-4H3
InChIKeySLWUVEKOCRICBC-UHFFFAOYSA-N
XLogP5.38
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
CID 47052300
N-(2-hydroxyethyl)-4-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]benzotriazol-5-yl]benzamide
CID 57405422
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide
CID 144760261
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
CID 111911911
5-bromo-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-c]pyridine
CID 86708176
4-[[7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-fluoropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 56645171
1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 158631586
N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 86686159

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide (CID 57405096) is 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide is CCc1cnc(N2CCC(n3ncc4cc(-c5ccc(C(=O)N(C)C(C)C)cc5)ccc43)CC2)nc1.
What is the InChIKey of 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is SLWUVEKOCRICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-5-21-17-30-29(31-18-21)34-14-12-26(13-15-34)35-27-11-10-24(16-25(27)19-32-35)22-6-8-23(9-7-22)28(36)33(4)20(2)3/h6-11,16-20,26H,5,12-15H2,1-4H3.
What are the key properties of 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide?
4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 482.63 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 57405096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).