8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide

C16H18FN7OS — CID 164945410

IUPAC8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)c1cn2cc(-c3cncs3)nc(NCC3(F)CCNCC3)c2n1
InChIInChI=1S/C16H18FN7OS/c17-16(1-3-19-4-2-16)8-21-14-15-23-11(13(18)25)7-24(15)6-10(22-14)12-5-20-9-26-12/h5-7,9,19H,1-4,8H2,(H2,18,25)(H,21,22)
InChIKeyXFCWYLVMWXFHRZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.46
Rot. Bonds5

About 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide

8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 164945410) has the molecular formula C16H18FN7OS and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID164945410
Molecular FormulaC16H18FN7OS
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC Name8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)c1cn2cc(-c3cncs3)nc(NCC3(F)CCNCC3)c2n1
InChIInChI=1S/C16H18FN7OS/c17-16(1-3-19-4-2-16)8-21-14-15-23-11(13(18)25)7-24(15)6-10(22-14)12-5-20-9-26-12/h5-7,9,19H,1-4,8H2,(H2,18,25)(H,21,22)
InChIKeyXFCWYLVMWXFHRZ-UHFFFAOYSA-N
XLogP1.46
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 164945410) is 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide is NC(=O)c1cn2cc(-c3cncs3)nc(NCC3(F)CCNCC3)c2n1.
What is the InChIKey of 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XFCWYLVMWXFHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7OS/c17-16(1-3-19-4-2-16)8-21-14-15-23-11(13(18)25)7-24(15)6-10(22-14)12-5-20-9-26-12/h5-7,9,19H,1-4,8H2,(H2,18,25)(H,21,22).
What are the key properties of 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 164945410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).