methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C26H41N5O2 — CID 143481505

IUPACmethyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCC(CCN(CC)C(C)CC(N)c1ccccc1)n1c(C)nc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C26H41N5O2/c1-6-22(31-20(4)28-24-18-30(26(32)33-5)16-14-25(24)31)13-15-29(7-2)19(3)17-23(27)21-11-9-8-10-12-21/h8-12,19,22-23H,6-7,13-18,27H2,1-5H3
InChIKeyVTCNEVQASYNGQR-UHFFFAOYSA-N
MW455.65 g/mol
LogP4.46
Rot. Bonds10

About methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 143481505) has the molecular formula C26H41N5O2 and a molecular weight of 455.65 g/mol. Its IUPAC name is methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID143481505
Molecular FormulaC26H41N5O2
Molecular Weight455.65 g/mol
Exact Mass455.33
IUPAC Namemethyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCCC(CCN(CC)C(C)CC(N)c1ccccc1)n1c(C)nc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C26H41N5O2/c1-6-22(31-20(4)28-24-18-30(26(32)33-5)16-14-25(24)31)13-15-29(7-2)19(3)17-23(27)21-11-9-8-10-12-21/h8-12,19,22-23H,6-7,13-18,27H2,1-5H3
InChIKeyVTCNEVQASYNGQR-UHFFFAOYSA-N
XLogP4.46
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 143481505) is methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is CCC(CCN(CC)C(C)CC(N)c1ccccc1)n1c(C)nc2c1CCN(C(=O)OC)C2.
What is the InChIKey of methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is VTCNEVQASYNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O2/c1-6-22(31-20(4)28-24-18-30(26(32)33-5)16-14-25(24)31)13-15-29(7-2)19(3)17-23(27)21-11-9-8-10-12-21/h8-12,19,22-23H,6-7,13-18,27H2,1-5H3.
What are the key properties of methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 455.65 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(4-amino-4-phenylbutan-2-yl)-ethylamino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 143481505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).