9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole

C27H25F3N4 — CID 126725924

IUPAC9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole
SMILESCCCCCc1cc2c3ccccc3n(C)c2cc1-c1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C27H25F3N4/c1-3-4-5-8-17-13-21-19-9-6-7-10-24(19)34(2)25(21)15-20(17)18-11-12-31-22(14-18)23-16-26(33-32-23)27(28,29)30/h6-7,9-16H,3-5,8H2,1-2H3,(H,32,33)
InChIKeyWSXKJLMNXGUOIA-UHFFFAOYSA-N
MW462.52 g/mol
LogP7.54
Rot. Bonds6

About 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole

9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole (PubChem CID 126725924) has the molecular formula C27H25F3N4 and a molecular weight of 462.52 g/mol. Its IUPAC name is 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole
PubChem CID126725924
Molecular FormulaC27H25F3N4
Molecular Weight462.52 g/mol
Exact Mass462.20
IUPAC Name9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole
SMILESCCCCCc1cc2c3ccccc3n(C)c2cc1-c1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C27H25F3N4/c1-3-4-5-8-17-13-21-19-9-6-7-10-24(19)34(2)25(21)15-20(17)18-11-12-31-22(14-18)23-16-26(33-32-23)27(28,29)30/h6-7,9-16H,3-5,8H2,1-2H3,(H,32,33)
InChIKeyWSXKJLMNXGUOIA-UHFFFAOYSA-N
XLogP7.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Camizestrant
CID 134453496
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
CID 134453448
[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-1H-indazole-6-carbonitrile
CID 135525556
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,2-thiazole
CID 135559062
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole?
The IUPAC name of 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole (CID 126725924) is 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole.
What is the SMILES notation for 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole?
The canonical SMILES for 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole is CCCCCc1cc2c3ccccc3n(C)c2cc1-c1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole?
The InChIKey is WSXKJLMNXGUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4/c1-3-4-5-8-17-13-21-19-9-6-7-10-24(19)34(2)25(21)15-20(17)18-11-12-31-22(14-18)23-16-26(33-32-23)27(28,29)30/h6-7,9-16H,3-5,8H2,1-2H3,(H,32,33).
What are the key properties of 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole?
9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole has a molecular weight of 462.52 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]carbazole is sourced from PubChem (CID 126725924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).