N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide

C25H28F3N7O — CID 138590945

IUPACN-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn4c3CNCC4)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C25H28F3N7O/c26-25(27,28)24(3-4-24)15-34-6-1-16(2-7-34)23(36)33-22-10-17-9-18(11-30-20(17)13-31-22)19-12-32-35-8-5-29-14-21(19)35/h9-13,16,29H,1-8,14-15H2,(H,31,33,36)
InChIKeyQCGUCXRJTZCSPR-UHFFFAOYSA-N
MW499.54 g/mol
LogP3.59
Rot. Bonds5

About N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide

N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (PubChem CID 138590945) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
PubChem CID138590945
Molecular FormulaC25H28F3N7O
Molecular Weight499.54 g/mol
Exact Mass499.23
IUPAC NameN-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn4c3CNCC4)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C25H28F3N7O/c26-25(27,28)24(3-4-24)15-34-6-1-16(2-7-34)23(36)33-22-10-17-9-18(11-30-20(17)13-31-22)19-12-32-35-8-5-29-14-21(19)35/h9-13,16,29H,1-8,14-15H2,(H,31,33,36)
InChIKeyQCGUCXRJTZCSPR-UHFFFAOYSA-N
XLogP3.59
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955083
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
(3R)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]piperidine-3-carboxamide
CID 138590972
4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138590946
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 138586870
2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138589243
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138590649
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (CID 138590945) is N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is O=C(Nc1cc2cc(-c3cnn4c3CNCC4)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The InChIKey is QCGUCXRJTZCSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O/c26-25(27,28)24(3-4-24)15-34-6-1-16(2-7-34)23(36)33-22-10-17-9-18(11-30-20(17)13-31-22)19-12-32-35-8-5-29-14-21(19)35/h9-13,16,29H,1-8,14-15H2,(H,31,33,36).
What are the key properties of N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 138590945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).