4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C35H27Br2F3N10O2 — CID 165129844

IUPAC4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ncc(Br)cc1NC(=O)c1cc(C2CC2c2ncc(Br)cc2NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C35H27Br2F3N10O2/c1-18-28(8-22(36)13-41-18)47-34(52)31-7-19(6-29(46-31)21-12-44-50(16-21)17-35(38,39)40)24-10-25(24)32-30(9-23(37)14-42-32)48-33(51)27-5-3-4-26(45-27)20-11-43-49(2)15-20/h3-9,11-16,24-25H,10,17H2,1-2H3,(H,47,52)(H,48,51)
InChIKeyWGBGXLGIGZLEQZ-UHFFFAOYSA-N
MW836.47 g/mol
LogP7.70
Rot. Bonds9

About 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129844) has the molecular formula C35H27Br2F3N10O2 and a molecular weight of 836.47 g/mol. Its IUPAC name is 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID165129844
Molecular FormulaC35H27Br2F3N10O2
Molecular Weight836.47 g/mol
Exact Mass834.06
IUPAC Name4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1ncc(Br)cc1NC(=O)c1cc(C2CC2c2ncc(Br)cc2NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C35H27Br2F3N10O2/c1-18-28(8-22(36)13-41-18)47-34(52)31-7-19(6-29(46-31)21-12-44-50(16-21)17-35(38,39)40)24-10-25(24)32-30(9-23(37)14-42-32)48-33(51)27-5-3-4-26(45-27)20-11-43-49(2)15-20/h3-9,11-16,24-25H,10,17H2,1-2H3,(H,47,52)(H,48,51)
InChIKeyWGBGXLGIGZLEQZ-UHFFFAOYSA-N
XLogP7.70
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.47
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 165129719
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 165129858
6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 165129829
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129877
5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 155515456
1-[2-[(1R,3S,5R)-3-[(3-bromo-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009662
16-[1-(2,2-Difluorocyclopropanecarbonyl)piperidin-4-yl]-4,5,12,15,16,19,25-heptaazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(24),2(26),3,14,17,21(25),22-heptaene-13,20-dione
CID 122472089
1-[2-[(2S,4R)-2-[(5-bromo-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323684
US9580418, Example 5
CID 118646860
N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 155923505
5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 155515455
US11958831, Example 6
CID 146437629

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129844) is 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is Cc1ncc(Br)cc1NC(=O)c1cc(C2CC2c2ncc(Br)cc2NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(-c2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WGBGXLGIGZLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27Br2F3N10O2/c1-18-28(8-22(36)13-41-18)47-34(52)31-7-19(6-29(46-31)21-12-44-50(16-21)17-35(38,39)40)24-10-25(24)32-30(9-23(37)14-42-32)48-33(51)27-5-3-4-26(45-27)20-11-43-49(2)15-20/h3-9,11-16,24-25H,10,17H2,1-2H3,(H,47,52)(H,48,51).
What are the key properties of 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 836.47 g/mol, XLogP of 7.70, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-bromo-3-[[6-(1-methylpyrazol-4-yl)pyridine-2-carbonyl]amino]-2-pyridinyl]cyclopropyl]-N-(5-bromo-2-methyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).