7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine

C24H25F4N7 — CID 155597157

IUPAC7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine
SMILESC[C@H](Cc1nncn1C)c1cccc(-c2[nH]nc3c(CN4CC[C@H](F)C4)cc(C(F)(F)F)nc23)c1
InChIInChI=1S/C24H25F4N7/c1-14(8-20-31-29-13-34(20)2)15-4-3-5-16(9-15)21-23-22(33-32-21)17(10-19(30-23)24(26,27)28)11-35-7-6-18(25)12-35/h3-5,9-10,13-14,18H,6-8,11-12H2,1-2H3,(H,32,33)/t14-,18+/m1/s1
InChIKeyGOWDNSPFZXUODG-KDOFPFPSSA-N
MW487.51 g/mol
LogP4.66
Rot. Bonds6

About 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine

7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine (PubChem CID 155597157) has the molecular formula C24H25F4N7 and a molecular weight of 487.51 g/mol. Its IUPAC name is 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine
PubChem CID155597157
Molecular FormulaC24H25F4N7
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC Name7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine
SMILESC[C@H](Cc1nncn1C)c1cccc(-c2[nH]nc3c(CN4CC[C@H](F)C4)cc(C(F)(F)F)nc23)c1
InChIInChI=1S/C24H25F4N7/c1-14(8-20-31-29-13-34(20)2)15-4-3-5-16(9-15)21-23-22(33-32-21)17(10-19(30-23)24(26,27)28)11-35-7-6-18(25)12-35/h3-5,9-10,13-14,18H,6-8,11-12H2,1-2H3,(H,32,33)/t14-,18+/m1/s1
InChIKeyGOWDNSPFZXUODG-KDOFPFPSSA-N
XLogP4.66
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine (CID 155597157) is 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine is C[C@H](Cc1nncn1C)c1cccc(-c2[nH]nc3c(CN4CC[C@H](F)C4)cc(C(F)(F)F)nc23)c1.
What is the InChIKey of 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is GOWDNSPFZXUODG-KDOFPFPSSA-N. The full InChI is InChI=1S/C24H25F4N7/c1-14(8-20-31-29-13-34(20)2)15-4-3-5-16(9-15)21-23-22(33-32-21)17(10-19(30-23)24(26,27)28)11-35-7-6-18(25)12-35/h3-5,9-10,13-14,18H,6-8,11-12H2,1-2H3,(H,32,33)/t14-,18+/m1/s1.
What are the key properties of 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine?
7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 487.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-3-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 155597157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).