5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C19H22F2N8OS — CID 74983163

IUPAC5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1
InChIInChI=1S/C19H22F2N8OS/c1-28-18(29-7-5-11(22)8-19(20,21)10-29)13(9-25-28)26-16(30)14-15(23)31-17(27-14)12-4-2-3-6-24-12/h2-4,6,9,11H,5,7-8,10,22-23H2,1H3,(H,26,30)/t11-/m0/s1
InChIKeyYUXZEMIJWVHEBX-NSHDSACASA-N
MW448.50 g/mol
LogP2.34
Rot. Bonds4

About 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 74983163) has the molecular formula C19H22F2N8OS and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID74983163
Molecular FormulaC19H22F2N8OS
Molecular Weight448.50 g/mol
Exact Mass448.16
IUPAC Name5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1
InChIInChI=1S/C19H22F2N8OS/c1-28-18(29-7-5-11(22)8-19(20,21)10-29)13(9-25-28)26-16(30)14-15(23)31-17(27-14)12-4-2-3-6-24-12/h2-4,6,9,11H,5,7-8,10,22-23H2,1H3,(H,26,30)/t11-/m0/s1
InChIKeyYUXZEMIJWVHEBX-NSHDSACASA-N
XLogP2.34
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-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 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 74983163) is 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1.
What is the InChIKey of 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YUXZEMIJWVHEBX-NSHDSACASA-N. The full InChI is InChI=1S/C19H22F2N8OS/c1-28-18(29-7-5-11(22)8-19(20,21)10-29)13(9-25-28)26-16(30)14-15(23)31-17(27-14)12-4-2-3-6-24-12/h2-4,6,9,11H,5,7-8,10,22-23H2,1H3,(H,26,30)/t11-/m0/s1.
What are the key properties of 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).