2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane

C30H33N5O2 — CID 145222305

IUPAC2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane
SMILESC.Cc1cnc2c(C(C)(C)O)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(C)c5c4)ccn3)cc2c1
InChIInChI=1S/C29H29N5O2.CH4/c1-17-7-22-8-19(11-25(29(3,4)36)26(22)31-13-17)9-23-12-21(5-6-30-23)28(35)34-16-20-10-24-18(2)14-32-27(24)33-15-20;/h5-8,10-15,36H,9,16H2,1-4H3,(H,32,33)(H,34,35);1H4
InChIKeyOPIVXQNSGFUELH-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.51
Rot. Bonds6

About 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane

2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane (PubChem CID 145222305) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane.

Molecular Properties

Compound Name2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane
PubChem CID145222305
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane
SMILESC.Cc1cnc2c(C(C)(C)O)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(C)c5c4)ccn3)cc2c1
InChIInChI=1S/C29H29N5O2.CH4/c1-17-7-22-8-19(11-25(29(3,4)36)26(22)31-13-17)9-23-12-21(5-6-30-23)28(35)34-16-20-10-24-18(2)14-32-27(24)33-15-20;/h5-8,10-15,36H,9,16H2,1-4H3,(H,32,33)(H,34,35);1H4
InChIKeyOPIVXQNSGFUELH-UHFFFAOYSA-N
XLogP5.51
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane with MolForge

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Related Compounds

2-[[6-(2-hydroxybutan-2-yl)-2-pyridinyl]amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155568953
N-(1-ethylpiperidin-4-yl)-4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 156282972
4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 156282979
4-[[7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 156283148
4-amino-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383291
US10793575, Example 50
CID 139529639
2-methyl-4-(5-quinolin-5-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 44529964
4-[2-methyl-4-[2-oxo-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56669908
2-[(1S)-1-cyclopropylethyl]-5-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-7-methyl-3H-isoindol-1-one
CID 162655430
4-(4-benzyl-4-hydroxypiperidin-1-yl)-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10201064
4-(4-methyl-6-{[4-(trifluoromethyl)pyridin-2-yl]amino}-2,3'-bipyridin-6'-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-ylcarbonyl)piperidin-4-ol
CID 70984149
4-(4-{2-Hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide
CID 71230822

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane?
The IUPAC name of 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane (CID 145222305) is 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane.
What is the SMILES notation for 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane?
The canonical SMILES for 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane is C.Cc1cnc2c(C(C)(C)O)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(C)c5c4)ccn3)cc2c1.
What is the InChIKey of 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane?
The InChIKey is OPIVXQNSGFUELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.CH4/c1-17-7-22-8-19(11-25(29(3,4)36)26(22)31-13-17)9-23-12-21(5-6-30-23)28(35)34-16-20-10-24-18(2)14-32-27(24)33-15-20;/h5-8,10-15,36H,9,16H2,1-4H3,(H,32,33)(H,34,35);1H4.
What are the key properties of 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane?
2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane has a molecular weight of 495.63 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]-N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;methane is sourced from PubChem (CID 145222305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).