N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C21H21F3N8O2 — CID 154654222

IUPACN-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3[nH]ncc3NC(=O)c3cncc(C(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C21H21F3N8O2/c1-31-4-6-32(7-5-31)17-3-2-15(11-26-17)28-20(34)18-16(12-27-30-18)29-19(33)13-8-14(10-25-9-13)21(22,23)24/h2-3,8-12H,4-7H2,1H3,(H,27,30)(H,28,34)(H,29,33)
InChIKeyMMZZPLSRLPRYJK-UHFFFAOYSA-N
MW474.45 g/mol
LogP2.47
Rot. Bonds5

About N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 154654222) has the molecular formula C21H21F3N8O2 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID154654222
Molecular FormulaC21H21F3N8O2
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC NameN-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3[nH]ncc3NC(=O)c3cncc(C(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C21H21F3N8O2/c1-31-4-6-32(7-5-31)17-3-2-15(11-26-17)28-20(34)18-16(12-27-30-18)29-19(33)13-8-14(10-25-9-13)21(22,23)24/h2-3,8-12H,4-7H2,1H3,(H,27,30)(H,28,34)(H,29,33)
InChIKeyMMZZPLSRLPRYJK-UHFFFAOYSA-N
XLogP2.47
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
6-piperidin-1-yl-N-[1-[4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010127
5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654304
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
5-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55791037
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 42857326
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 141493476
5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155009996

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 154654222) is N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3[nH]ncc3NC(=O)c3cncc(C(F)(F)F)c3)cn2)CC1.
What is the InChIKey of N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MMZZPLSRLPRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8O2/c1-31-4-6-32(7-5-31)17-3-2-15(11-26-17)28-20(34)18-16(12-27-30-18)29-19(33)13-8-14(10-25-9-13)21(22,23)24/h2-3,8-12H,4-7H2,1H3,(H,27,30)(H,28,34)(H,29,33).
What are the key properties of N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154654222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).