N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C19H16F4N8OS — CID 90383102

IUPACN-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1
InChIInChI=1S/C19H16F4N8OS/c1-29-15(12(7-24-29)17-26-13(9-33-17)19(21,22)23)16(32)25-11-3-5-31-14(6-11)27-18(28-31)30-4-2-10(20)8-30/h3,5-7,9-10H,2,4,8H2,1H3,(H,25,32)/t10-/m1/s1
InChIKeySWMBTLZRKGQEPU-SNVBAGLBSA-N
MW480.45 g/mol
LogP3.41
Rot. Bonds4

About N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 90383102) has the molecular formula C19H16F4N8OS and a molecular weight of 480.45 g/mol. Its IUPAC name is N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID90383102
Molecular FormulaC19H16F4N8OS
Molecular Weight480.45 g/mol
Exact Mass480.11
IUPAC NameN-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1
InChIInChI=1S/C19H16F4N8OS/c1-29-15(12(7-24-29)17-26-13(9-33-17)19(21,22)23)16(32)25-11-3-5-31-14(6-11)27-18(28-31)30-4-2-10(20)8-30/h3,5-7,9-10H,2,4,8H2,1H3,(H,25,32)/t10-/m1/s1
InChIKeySWMBTLZRKGQEPU-SNVBAGLBSA-N
XLogP3.41
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 90383102) is N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.
What is the InChIKey of N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is SWMBTLZRKGQEPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16F4N8OS/c1-29-15(12(7-24-29)17-26-13(9-33-17)19(21,22)23)16(32)25-11-3-5-31-14(6-11)27-18(28-31)30-4-2-10(20)8-30/h3,5-7,9-10H,2,4,8H2,1H3,(H,25,32)/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).