1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide

C21H17ClF3N7O2 — CID 69134170

IUPAC1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide
SMILESCC(C)NC(=O)c1c(C(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cnn(N)c12
InChIInChI=1S/C21H17ClF3N7O2/c1-10(2)29-20(34)16-12(6-5-11-9-28-32(26)17(11)16)18(33)14-8-15(21(23,24)25)30-31(14)19-13(22)4-3-7-27-19/h3-10H,26H2,1-2H3,(H,29,34)
InChIKeyZVGOYSBGJJKKGY-UHFFFAOYSA-N
MW491.86 g/mol
LogP3.37
Rot. Bonds5

About 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide

1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide (PubChem CID 69134170) has the molecular formula C21H17ClF3N7O2 and a molecular weight of 491.86 g/mol. Its IUPAC name is 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide.

Molecular Properties

Compound Name1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide
PubChem CID69134170
Molecular FormulaC21H17ClF3N7O2
Molecular Weight491.86 g/mol
Exact Mass491.11
IUPAC Name1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide
SMILESCC(C)NC(=O)c1c(C(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cnn(N)c12
InChIInChI=1S/C21H17ClF3N7O2/c1-10(2)29-20(34)16-12(6-5-11-9-28-32(26)17(11)16)18(33)14-8-15(21(23,24)25)30-31(14)19-13(22)4-3-7-27-19/h3-10H,26H2,1-2H3,(H,29,34)
InChIKeyZVGOYSBGJJKKGY-UHFFFAOYSA-N
XLogP3.37
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.86
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide?
The IUPAC name of 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide (CID 69134170) is 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide.
What is the SMILES notation for 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide?
The canonical SMILES for 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide is CC(C)NC(=O)c1c(C(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cnn(N)c12.
What is the InChIKey of 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide?
The InChIKey is ZVGOYSBGJJKKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N7O2/c1-10(2)29-20(34)16-12(6-5-11-9-28-32(26)17(11)16)18(33)14-8-15(21(23,24)25)30-31(14)19-13(22)4-3-7-27-19/h3-10H,26H2,1-2H3,(H,29,34).
What are the key properties of 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide?
1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide has a molecular weight of 491.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-N-propan-2-ylindazole-7-carboxamide is sourced from PubChem (CID 69134170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).