4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

C52H42N14O3 — CID 160849745

IUPAC4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESCn1ccc(CNc2nc3cc(C#N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1.N#Cc1ccc2c(c1)nc(NCc1ccco1)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12
InChIInChI=1S/C26H22N8O.C26H20N6O2/c1-33-11-10-20(32-33)14-28-24-25-29-15-23(34(25)22-9-2-16(13-27)12-21(22)31-24)17-3-5-18(6-4-17)26(35)30-19-7-8-19;27-13-16-3-10-22-21(12-16)31-24(28-14-20-2-1-11-34-20)25-29-15-23(32(22)25)17-4-6-18(7-5-17)26(33)30-19-8-9-19/h2-6,9-12,15,19H,7-8,14H2,1H3,(H,28,31)(H,30,35);1-7,10-12,15,19H,8-9,14H2,(H,28,31)(H,30,33)
InChIKeySJCKRCMQMDKLMK-UHFFFAOYSA-N
MW911.00 g/mol
LogP8.18
Rot. Bonds12

About 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (PubChem CID 160849745) has the molecular formula C52H42N14O3 and a molecular weight of 911.00 g/mol. Its IUPAC name is 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
PubChem CID160849745
Molecular FormulaC52H42N14O3
Molecular Weight911.00 g/mol
Exact Mass910.36
IUPAC Name4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESCn1ccc(CNc2nc3cc(C#N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1.N#Cc1ccc2c(c1)nc(NCc1ccco1)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12
InChIInChI=1S/C26H22N8O.C26H20N6O2/c1-33-11-10-20(32-33)14-28-24-25-29-15-23(34(25)22-9-2-16(13-27)12-21(22)31-24)17-3-5-18(6-4-17)26(35)30-19-7-8-19;27-13-16-3-10-22-21(12-16)31-24(28-14-20-2-1-11-34-20)25-29-15-23(32(22)25)17-4-6-18(7-5-17)26(33)30-19-8-9-19/h2-6,9-12,15,19H,7-8,14H2,1H3,(H,28,31)(H,30,35);1-7,10-12,15,19H,8-9,14H2,(H,28,31)(H,30,33)
InChIKeySJCKRCMQMDKLMK-UHFFFAOYSA-N
XLogP8.18
TPSA221.18 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.00
LogP ≤ 58.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (CID 160849745) is 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is Cn1ccc(CNc2nc3cc(C#N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)n1.N#Cc1ccc2c(c1)nc(NCc1ccco1)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12.
What is the InChIKey of 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The InChIKey is SJCKRCMQMDKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O.C26H20N6O2/c1-33-11-10-20(32-33)14-28-24-25-29-15-23(34(25)22-9-2-16(13-27)12-21(22)31-24)17-3-5-18(6-4-17)26(35)30-19-7-8-19;27-13-16-3-10-22-21(12-16)31-24(28-14-20-2-1-11-34-20)25-29-15-23(32(22)25)17-4-6-18(7-5-17)26(33)30-19-8-9-19/h2-6,9-12,15,19H,7-8,14H2,1H3,(H,28,31)(H,30,35);1-7,10-12,15,19H,8-9,14H2,(H,28,31)(H,30,33).
What are the key properties of 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide has a molecular weight of 911.00 g/mol, XLogP of 8.18, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 160849745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).