2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

C29H35N5 — CID 134330189

IUPAC2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C6CC6)c5)c(C(C)C)c4c3)CC2)[nH]1
InChIInChI=1S/C29H35N5/c1-18(2)28-25-14-22(20-9-12-34(13-10-20)17-24-16-31-19(3)32-24)6-7-26(25)33-29(28)23-8-11-30-27(15-23)21-4-5-21/h6-8,11,14-16,18,20-21,33H,4-5,9-10,12-13,17H2,1-3H3,(H,31,32)
InChIKeyBLMILNNFLLFMJI-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.64
Rot. Bonds6

About 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134330189) has the molecular formula C29H35N5 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
PubChem CID134330189
Molecular FormulaC29H35N5
Molecular Weight453.63 g/mol
Exact Mass453.29
IUPAC Name2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C6CC6)c5)c(C(C)C)c4c3)CC2)[nH]1
InChIInChI=1S/C29H35N5/c1-18(2)28-25-14-22(20-9-12-34(13-10-20)17-24-16-31-19(3)32-24)6-7-26(25)33-29(28)23-8-11-30-27(15-23)21-4-5-21/h6-8,11,14-16,18,20-21,33H,4-5,9-10,12-13,17H2,1-3H3,(H,31,32)
InChIKeyBLMILNNFLLFMJI-UHFFFAOYSA-N
XLogP6.64
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134330040
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
CID 134330006
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
CID 142594753
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329430
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329571

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134330189) is 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is Cc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C6CC6)c5)c(C(C)C)c4c3)CC2)[nH]1.
What is the InChIKey of 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The InChIKey is BLMILNNFLLFMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5/c1-18(2)28-25-14-22(20-9-12-34(13-10-20)17-24-16-31-19(3)32-24)6-7-26(25)33-29(28)23-8-11-30-27(15-23)21-4-5-21/h6-8,11,14-16,18,20-21,33H,4-5,9-10,12-13,17H2,1-3H3,(H,31,32).
What are the key properties of 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 453.63 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).