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

C19H23FN8OS — CID 74983165

IUPAC5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-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)[C@@H](F)CC1
InChIInChI=1S/C19H23FN8OS/c1-27-19(28-8-5-11(20)12(21)6-9-28)14(10-24-27)25-17(29)15-16(22)30-18(26-15)13-4-2-3-7-23-13/h2-4,7,10-12H,5-6,8-9,21-22H2,1H3,(H,25,29)/t11-,12-/m0/s1
InChIKeyUNPUCKRJJQRLJX-RYUDHWBXSA-N
MW430.51 g/mol
LogP2.04
Rot. Bonds4

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

5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 74983165) has the molecular formula C19H23FN8OS and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID74983165
Molecular FormulaC19H23FN8OS
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-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)[C@@H](F)CC1
InChIInChI=1S/C19H23FN8OS/c1-27-19(28-8-5-11(20)12(21)6-9-28)14(10-24-27)25-17(29)15-16(22)30-18(26-15)13-4-2-3-7-23-13/h2-4,7,10-12H,5-6,8-9,21-22H2,1H3,(H,25,29)/t11-,12-/m0/s1
InChIKeyUNPUCKRJJQRLJX-RYUDHWBXSA-N
XLogP2.04
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.04
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-pyridin-2-yl-1,3-thiazole-4-carboxamide with MolForge

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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-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 74983165) is 5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-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-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccn3)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-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UNPUCKRJJQRLJX-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H23FN8OS/c1-27-19(28-8-5-11(20)12(21)6-9-28)14(10-24-27)25-17(29)15-16(22)30-18(26-15)13-4-2-3-7-23-13/h2-4,7,10-12H,5-6,8-9,21-22H2,1H3,(H,25,29)/t11-,12-/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-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.04, 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-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).