2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

C29H35N5O — CID 134329401

IUPAC2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCOc1ncc(CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C29H35N5O/c1-18(2)27-25-14-23(6-7-26(25)33-28(27)24-12-19(3)32-20(4)13-24)22-8-10-34(11-9-22)17-21-15-30-29(35-5)31-16-21/h6-7,12-16,18,22,33H,8-11,17H2,1-5H3
InChIKeyRPRVQPYKNSMWGA-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.15
Rot. Bonds6

About 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134329401) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
PubChem CID134329401
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCOc1ncc(CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C29H35N5O/c1-18(2)27-25-14-23(6-7-26(25)33-28(27)24-12-19(3)32-20(4)13-24)22-8-10-34(11-9-22)17-21-15-30-29(35-5)31-16-21/h6-7,12-16,18,22,33H,8-11,17H2,1-5H3
InChIKeyRPRVQPYKNSMWGA-UHFFFAOYSA-N
XLogP6.15
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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-(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-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
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-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
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-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 134329857
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
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
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134329401) is 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is COc1ncc(CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)cn1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The InChIKey is RPRVQPYKNSMWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-18(2)27-25-14-23(6-7-26(25)33-28(27)24-12-19(3)32-20(4)13-24)22-8-10-34(11-9-22)17-21-15-30-29(35-5)31-16-21/h6-7,12-16,18,22,33H,8-11,17H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 469.63 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).