4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C20H19F3N8OS — CID 90383492

IUPAC4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F
InChIInChI=1S/C20H19F3N8OS/c1-10-15(17(22)23)27-19(33-10)13-8-24-29(2)16(13)18(32)25-12-4-6-31-14(7-12)26-20(28-31)30-5-3-11(21)9-30/h4,6-8,11,17H,3,5,9H2,1-2H3,(H,25,32)/t11-/m0/s1
InChIKeyVRIBONDAXOUERQ-NSHDSACASA-N
MW476.49 g/mol
LogP3.63
Rot. Bonds5

About 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383492) has the molecular formula C20H19F3N8OS and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383492
Molecular FormulaC20H19F3N8OS
Molecular Weight476.49 g/mol
Exact Mass476.14
IUPAC Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F
InChIInChI=1S/C20H19F3N8OS/c1-10-15(17(22)23)27-19(33-10)13-8-24-29(2)16(13)18(32)25-12-4-6-31-14(7-12)26-20(28-31)30-5-3-11(21)9-30/h4,6-8,11,17H,3,5,9H2,1-2H3,(H,25,32)/t11-/m0/s1
InChIKeyVRIBONDAXOUERQ-NSHDSACASA-N
XLogP3.63
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383492) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VRIBONDAXOUERQ-NSHDSACASA-N. The full InChI is InChI=1S/C20H19F3N8OS/c1-10-15(17(22)23)27-19(33-10)13-8-24-29(2)16(13)18(32)25-12-4-6-31-14(7-12)26-20(28-31)30-5-3-11(21)9-30/h4,6-8,11,17H,3,5,9H2,1-2H3,(H,25,32)/t11-/m0/s1.
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).