N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide

C19H19FN8O — CID 167501514

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4n[nH]nc34)cc(F)c2n1
InChIInChI=1S/C19H19FN8O/c1-11-9-28-10-12(8-14(20)18(28)22-11)23-19(29)13-2-3-15(17-16(13)24-26-25-17)27-6-4-21-5-7-27/h2-3,8-10,21H,4-7H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyVLQPQAFMTCYNLA-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.72
Rot. Bonds3

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide (PubChem CID 167501514) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
PubChem CID167501514
Molecular FormulaC19H19FN8O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4n[nH]nc34)cc(F)c2n1
InChIInChI=1S/C19H19FN8O/c1-11-9-28-10-12(8-14(20)18(28)22-11)23-19(29)13-2-3-15(17-16(13)24-26-25-17)27-6-4-21-5-7-27/h2-3,8-10,21H,4-7H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyVLQPQAFMTCYNLA-UHFFFAOYSA-N
XLogP1.72
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide (CID 167501514) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4n[nH]nc34)cc(F)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide?
The InChIKey is VLQPQAFMTCYNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-11-9-28-10-12(8-14(20)18(28)22-11)23-19(29)13-2-3-15(17-16(13)24-26-25-17)27-6-4-21-5-7-27/h2-3,8-10,21H,4-7H2,1H3,(H,23,29)(H,24,25,26).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 167501514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).