6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine

C30H33N5O — CID 142594046

IUPAC6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(CN2CCC(c3ccc4[nH]c(-c5ccc6nccn6c5)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C30H33N5O/c1-20(2)29-25-16-23(22-10-13-34(14-11-22)18-21-4-9-28(36-3)32-17-21)5-7-26(25)33-30(29)24-6-8-27-31-12-15-35(27)19-24/h4-9,12,15-17,19-20,22,33H,10-11,13-14,18H2,1-3H3
InChIKeyYWVOAPYMMGILMA-UHFFFAOYSA-N
MW479.63 g/mol
LogP6.39
Rot. Bonds6

About 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine

6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine (PubChem CID 142594046) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine
PubChem CID142594046
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(CN2CCC(c3ccc4[nH]c(-c5ccc6nccn6c5)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C30H33N5O/c1-20(2)29-25-16-23(22-10-13-34(14-11-22)18-21-4-9-28(36-3)32-17-21)5-7-26(25)33-30(29)24-6-8-27-31-12-15-35(27)19-24/h4-9,12,15-17,19-20,22,33H,10-11,13-14,18H2,1-3H3
InChIKeyYWVOAPYMMGILMA-UHFFFAOYSA-N
XLogP6.39
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5,5-trifluoro-1-[4-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)piperidin-1-yl]pentan-2-one
CID 157140603
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
6-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137464102
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
CID 134330006
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
2-[4-[2-(5-methoxyimidazo[1,2-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594436
3-propan-2-yl-2-(1H-pyrazol-4-yl)-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]-1H-indole
CID 175036602
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
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
6-[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 142594107
2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655588

Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine (CID 142594046) is 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine is COc1ccc(CN2CCC(c3ccc4[nH]c(-c5ccc6nccn6c5)c(C(C)C)c4c3)CC2)cn1.
What is the InChIKey of 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is YWVOAPYMMGILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-20(2)29-25-16-23(22-10-13-34(14-11-22)18-21-4-9-28(36-3)32-17-21)5-7-26(25)33-30(29)24-6-8-27-31-12-15-35(27)19-24/h4-9,12,15-17,19-20,22,33H,10-11,13-14,18H2,1-3H3.
What are the key properties of 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine?
6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 479.63 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 142594046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).