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2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C25H28F3N5O — CID 176614051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCc1nn2c(c1C(=O)NCc1ccc(-c3cc4n(n3)CC[C@H](C(F)(F)F)C4)cc1)CCCC2
InChIInChI=1S/C25H28F3N5O/c1-2-20-23(22-5-3-4-11-33(22)30-20)24(34)29-15-16-6-8-17(9-7-16)21-14-19-13-18(25(26,27)28)10-12-32(19)31-21/h6-9,14,18H,2-5,10-13,15H2,1H3,(H,29,34)/t18-/m0/s1
InChIKeyBFNYBUVSQAOFIT-SFHVURJKSA-N
MW471.53 g/mol
LogP4.70
Rot. Bonds5

About 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 176614051) has the molecular formula C25H28F3N5O and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID176614051
Molecular FormulaC25H28F3N5O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCc1nn2c(c1C(=O)NCc1ccc(-c3cc4n(n3)CC[C@H](C(F)(F)F)C4)cc1)CCCC2
InChIInChI=1S/C25H28F3N5O/c1-2-20-23(22-5-3-4-11-33(22)30-20)24(34)29-15-16-6-8-17(9-7-16)21-14-19-13-18(25(26,27)28)10-12-32(19)31-21/h6-9,14,18H,2-5,10-13,15H2,1H3,(H,29,34)/t18-/m0/s1
InChIKeyBFNYBUVSQAOFIT-SFHVURJKSA-N
XLogP4.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 176614051) is 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CCc1nn2c(c1C(=O)NCc1ccc(-c3cc4n(n3)CC[C@H](C(F)(F)F)C4)cc1)CCCC2.
What is the InChIKey of 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BFNYBUVSQAOFIT-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28F3N5O/c1-2-20-23(22-5-3-4-11-33(22)30-20)24(34)29-15-16-6-8-17(9-7-16)21-14-19-13-18(25(26,27)28)10-12-32(19)31-21/h6-9,14,18H,2-5,10-13,15H2,1H3,(H,29,34)/t18-/m0/s1.
What are the key properties of 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 176614051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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