N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide

C21H22N6O — CID 92627022

IUPACN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cc(-c3ccnn3C)nc3ccccc23)cnn1C
InChIInChI=1S/C21H22N6O/c1-13(17-12-23-26(3)14(17)2)24-21(28)16-11-19(20-9-10-22-27(20)4)25-18-8-6-5-7-15(16)18/h5-13H,1-4H3,(H,24,28)/t13-/m1/s1
InChIKeyKOADKWYDYJIJPS-CYBMUJFWSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds4

About N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide (PubChem CID 92627022) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide
PubChem CID92627022
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cc(-c3ccnn3C)nc3ccccc23)cnn1C
InChIInChI=1S/C21H22N6O/c1-13(17-12-23-26(3)14(17)2)24-21(28)16-11-19(20-9-10-22-27(20)4)25-18-8-6-5-7-15(16)18/h5-13H,1-4H3,(H,24,28)/t13-/m1/s1
InChIKeyKOADKWYDYJIJPS-CYBMUJFWSA-N
XLogP3.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 92627015
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 46977200
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 69135579
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide (CID 92627022) is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide is Cc1c([C@@H](C)NC(=O)c2cc(-c3ccnn3C)nc3ccccc23)cnn1C.
What is the InChIKey of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide?
The InChIKey is KOADKWYDYJIJPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13(17-12-23-26(3)14(17)2)24-21(28)16-11-19(20-9-10-22-27(20)4)25-18-8-6-5-7-15(16)18/h5-13H,1-4H3,(H,24,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide?
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92627022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).