4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide

C23H27F3N6O2 — CID 137310286

IUPAC4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNCCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1C
InChIInChI=1S/C23H27F3N6O2/c1-14-11-16(5-6-17(14)22(34)31(10-9-27-2)13-23(24,25)26)29-20-19-18(7-8-28-21(19)33)32(30-20)12-15-3-4-15/h5-8,11,15,27H,3-4,9-10,12-13H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyRZMFIMPMROYULJ-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.41
Rot. Bonds9

About 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 137310286) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID137310286
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNCCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1C
InChIInChI=1S/C23H27F3N6O2/c1-14-11-16(5-6-17(14)22(34)31(10-9-27-2)13-23(24,25)26)29-20-19-18(7-8-28-21(19)33)32(30-20)12-15-3-4-15/h5-8,11,15,27H,3-4,9-10,12-13H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyRZMFIMPMROYULJ-UHFFFAOYSA-N
XLogP3.41
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 137288711
1-(cyclopropylmethyl)-3-[3-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310321
acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713622
N,2-dimethyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 137288685
acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713558
3-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]-3-fluoroanilino]-1-(cyclopropylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713630
1-(cyclopropylmethyl)-3-(2,3-dihydro-1-benzofuran-5-ylamino)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310287
3-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]-3-fluoroanilino]-1-(cyclopropylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one;formonitrile
CID 144713629
ethyl 2-[[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonyl-methylamino]-2-methylpropanoate
CID 137310314
1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145906
tert-butyl 1-[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonylpyrrolidine-3-carboxylate
CID 137310247
1-(cyclopropylmethyl)-3-[4-[(2S)-2-methylmorpholin-4-yl]sulfonylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310263

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 137310286) is 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide is CNCCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1C.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RZMFIMPMROYULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-14-11-16(5-6-17(14)22(34)31(10-9-27-2)13-23(24,25)26)29-20-19-18(7-8-28-21(19)33)32(30-20)12-15-3-4-15/h5-8,11,15,27H,3-4,9-10,12-13H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 476.50 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 137310286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).