5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide

C19H22F2N8OS — CID 74983247

IUPAC5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1
InChIInChI=1S/C19H22F2N8OS/c1-28-19(29-6-3-11(20)13(22)4-7-29)14(9-25-28)26-17(30)15-16(23)31-18(27-15)10-2-5-24-8-12(10)21/h2,5,8-9,11,13H,3-4,6-7,22-23H2,1H3,(H,26,30)/t11-,13-/m0/s1
InChIKeyQUSNDNFCKNTNIF-AAEUAGOBSA-N
MW448.50 g/mol
LogP2.18
Rot. Bonds4

About 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 74983247) has the molecular formula C19H22F2N8OS and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID74983247
Molecular FormulaC19H22F2N8OS
Molecular Weight448.50 g/mol
Exact Mass448.16
IUPAC Name5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1
InChIInChI=1S/C19H22F2N8OS/c1-28-19(29-6-3-11(20)13(22)4-7-29)14(9-25-28)26-17(30)15-16(23)31-18(27-15)10-2-5-24-8-12(10)21/h2,5,8-9,11,13H,3-4,6-7,22-23H2,1H3,(H,26,30)/t11-,13-/m0/s1
InChIKeyQUSNDNFCKNTNIF-AAEUAGOBSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

(S)-5-amino-N-(5-(4-aminoazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 53482602
Gdc-0339
CID 73603034
(S)-5-amino-N-(5-(3-aminopiperidin-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluorophenyl)thiazole-4-carboxamide
CID 53482332
N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482665
5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482785
5-amino-2-(2,6-difluorophenyl)-N-[5-(4-hydroxyazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 53482960
5-amino-N-[5-(4-amino-3-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58464982
CID 71539661
CID 71539661
5-amino-N-[5-[(4R,5R)-4-amino-5-methoxyazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983184
5-amino-N-[5-[(5R)-5-amino-3,3-difluoro-5-methylazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983298
5-amino-N-(5-(5-amino-3-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 78103829
5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 74983247) is 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1.
What is the InChIKey of 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QUSNDNFCKNTNIF-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H22F2N8OS/c1-28-19(29-6-3-11(20)13(22)4-7-29)14(9-25-28)26-17(30)15-16(23)31-18(27-15)10-2-5-24-8-12(10)21/h2,5,8-9,11,13H,3-4,6-7,22-23H2,1H3,(H,26,30)/t11-,13-/m0/s1.
What are the key properties of 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.18, 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-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).