N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

C26H29N5O2 — CID 23880957

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESNCc1cccc(CNC(=O)c2ccn3c(NC4CCCCC4)c(-c4ccco4)nc3c2)c1
InChIInChI=1S/C26H29N5O2/c27-16-18-6-4-7-19(14-18)17-28-26(32)20-11-12-31-23(15-20)30-24(22-10-5-13-33-22)25(31)29-21-8-2-1-3-9-21/h4-7,10-15,21,29H,1-3,8-9,16-17,27H2,(H,28,32)
InChIKeyZPAWIULNMZNXAS-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.73
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23880957) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23880957
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESNCc1cccc(CNC(=O)c2ccn3c(NC4CCCCC4)c(-c4ccco4)nc3c2)c1
InChIInChI=1S/C26H29N5O2/c27-16-18-6-4-7-19(14-18)17-28-26(32)20-11-12-31-23(15-20)30-24(22-10-5-13-33-22)25(31)29-21-8-2-1-3-9-21/h4-7,10-15,21,29H,1-3,8-9,16-17,27H2,(H,28,32)
InChIKeyZPAWIULNMZNXAS-UHFFFAOYSA-N
XLogP4.73
TPSA97.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23880957) is N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is NCc1cccc(CNC(=O)c2ccn3c(NC4CCCCC4)c(-c4ccco4)nc3c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is ZPAWIULNMZNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c27-16-18-6-4-7-19(14-18)17-28-26(32)20-11-12-31-23(15-20)30-24(22-10-5-13-33-22)25(31)29-21-8-2-1-3-9-21/h4-7,10-15,21,29H,1-3,8-9,16-17,27H2,(H,28,32).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23880957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).