2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline

C96H115F6N15O2 — CID 158417748

IUPAC2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CNC(=O)N2.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2ccc(C(F)(F)F)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ncccc12.CNC(=O)c1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C13H12F3N.C12H13N.C11H14N2.C11H12N2.C10H12F3N.C10H13N3O.C10H14N2O.C10H12N2.C9H13N/c1-8(2)10-5-6-17-12-4-3-9(7-11(10)12)13(14,15)16;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-4-5-14-7(3)9(8)10(11,12)13;1-6(2)7-3-4-11-9-8(7)5-12-10(14)13-9;1-7(2)8-4-5-12-9(6-8)10(13)11-3;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-4-5-10-8(3)6-9/h3-8H,1-2H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3,(H2,11,12,13,14);4-7H,1-3H3,(H,11,13);3-7H,1-2H3,(H,11,12);4-7H,1-3H3
InChIKeyHACLLILKNRQEQB-UHFFFAOYSA-N
MW1625.07 g/mol
LogP25.32
Rot. Bonds10

About 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline

2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline (PubChem CID 158417748) has the molecular formula C96H115F6N15O2 and a molecular weight of 1625.07 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline
PubChem CID158417748
Molecular FormulaC96H115F6N15O2
Molecular Weight1625.07 g/mol
Exact Mass1623.93
IUPAC Name2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CNC(=O)N2.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2ccc(C(F)(F)F)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ncccc12.CNC(=O)c1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C13H12F3N.C12H13N.C11H14N2.C11H12N2.C10H12F3N.C10H13N3O.C10H14N2O.C10H12N2.C9H13N/c1-8(2)10-5-6-17-12-4-3-9(7-11(10)12)13(14,15)16;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-4-5-14-7(3)9(8)10(11,12)13;1-6(2)7-3-4-11-9-8(7)5-12-10(14)13-9;1-7(2)8-4-5-12-9(6-8)10(13)11-3;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-4-5-10-8(3)6-9/h3-8H,1-2H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3,(H2,11,12,13,14);4-7H,1-3H3,(H,11,13);3-7H,1-2H3,(H,11,12);4-7H,1-3H3
InChIKeyHACLLILKNRQEQB-UHFFFAOYSA-N
XLogP25.32
TPSA219.85 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001625.07
LogP ≤ 525.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
CID 71667102
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-piperidin-3-ylbenzamide
CID 71667249
4-[3-[(7R,9aS)-2-benzoyl-4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77107458
3-[6-[9-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166628
3-[6-[4-[[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166675
3-[6-[4-[2-[3-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166712
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166727
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9894997
4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1Hpyrazol-4-yl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-1H-pyrrolo-[2,3-b]pyridine-2-carboxamide
CID 46236769
N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 71666816
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 71666958
5-[[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 90269481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline (CID 158417748) is 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline is CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CNC(=O)N2.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2ccc(C(F)(F)F)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ncccc12.CNC(=O)c1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C(F)(F)F.
What is the InChIKey of 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline?
The InChIKey is HACLLILKNRQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N.C12H13N.C11H14N2.C11H12N2.C10H12F3N.C10H13N3O.C10H14N2O.C10H12N2.C9H13N/c1-8(2)10-5-6-17-12-4-3-9(7-11(10)12)13(14,15)16;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-4-5-14-7(3)9(8)10(11,12)13;1-6(2)7-3-4-11-9-8(7)5-12-10(14)13-9;1-7(2)8-4-5-12-9(6-8)10(13)11-3;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-4-5-10-8(3)6-9/h3-8H,1-2H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3,(H2,11,12,13,14);4-7H,1-3H3,(H,11,13);3-7H,1-2H3,(H,11,12);4-7H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline?
2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline has a molecular weight of 1625.07 g/mol, XLogP of 25.32, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-4-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 158417748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).