5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide

C18H12F3N7O — CID 146123273

IUPAC5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc12
InChIInChI=1S/C18H12F3N7O/c19-18(20,21)13-8-14(26-17(25-13)12-3-1-2-6-23-12)24-9-4-5-11-10(7-9)15(16(22)29)28-27-11/h1-8H,(H2,22,29)(H,27,28)(H,24,25,26)
InChIKeyHQRBROWBNOWBLQ-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.28
Rot. Bonds4

About 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide

5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide (PubChem CID 146123273) has the molecular formula C18H12F3N7O and a molecular weight of 399.34 g/mol. Its IUPAC name is 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
PubChem CID146123273
Molecular FormulaC18H12F3N7O
Molecular Weight399.34 g/mol
Exact Mass399.11
IUPAC Name5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc12
InChIInChI=1S/C18H12F3N7O/c19-18(20,21)13-8-14(26-17(25-13)12-3-1-2-6-23-12)24-9-4-5-11-10(7-9)15(16(22)29)28-27-11/h1-8H,(H2,22,29)(H,27,28)(H,24,25,26)
InChIKeyHQRBROWBNOWBLQ-UHFFFAOYSA-N
XLogP3.28
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
CID 167914687
N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133315898
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
CID 133406968
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133348579
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604

Frequently Asked Questions

What is the IUPAC name of 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide (CID 146123273) is 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide is NC(=O)c1n[nH]c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc12.
What is the InChIKey of 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide?
The InChIKey is HQRBROWBNOWBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O/c19-18(20,21)13-8-14(26-17(25-13)12-3-1-2-6-23-12)24-9-4-5-11-10(7-9)15(16(22)29)28-27-11/h1-8H,(H2,22,29)(H,27,28)(H,24,25,26).
What are the key properties of 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide?
5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide has a molecular weight of 399.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 146123273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).