N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C20H19F3N6O — CID 177050902

IUPACN-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCC2
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-9-12(5-6-24-18)15-11-17-14(4-2-8-29(17)26-15)25-19(30)16-10-13-3-1-7-28(13)27-16/h5-6,9-11,14H,1-4,7-8H2,(H,25,30)/t14-/m0/s1
InChIKeyAEKUBRQYTDNOSJ-AWEZNQCLSA-N
MW416.41 g/mol
LogP3.37
Rot. Bonds3

About N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 177050902) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID177050902
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC NameN-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCC2
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)18-9-12(5-6-24-18)15-11-17-14(4-2-8-29(17)26-15)25-19(30)16-10-13-3-1-7-28(13)27-16/h5-6,9-11,14H,1-4,7-8H2,(H,25,30)/t14-/m0/s1
InChIKeyAEKUBRQYTDNOSJ-AWEZNQCLSA-N
XLogP3.37
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 177050902) is N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCC2.
What is the InChIKey of N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is AEKUBRQYTDNOSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)18-9-12(5-6-24-18)15-11-17-14(4-2-8-29(17)26-15)25-19(30)16-10-13-3-1-7-28(13)27-16/h5-6,9-11,14H,1-4,7-8H2,(H,25,30)/t14-/m0/s1.
What are the key properties of N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 177050902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).