N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide

C26H26FN5O2 — CID 72700745

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@@H](O)CC3)c3nccn3c2c1
InChIInChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20+
InChIKeyMFJOWCFANZXQBU-BGYRXZFFSA-N
MW459.53 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide (PubChem CID 72700745) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
PubChem CID72700745
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@@H](O)CC3)c3nccn3c2c1
InChIInChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20+
InChIKeyMFJOWCFANZXQBU-BGYRXZFFSA-N
XLogP4.16
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide (CID 72700745) is N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide is O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@@H](O)CC3)c3nccn3c2c1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide?
The InChIKey is MFJOWCFANZXQBU-BGYRXZFFSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20+.
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-4-[(4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 72700745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).