N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine

C23H32N8 — CID 166393317

IUPACN-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NC(c1nnnn1C1CCCC1)c1cnc2n1CCCCC2)c1ccncc1
InChIInChI=1S/C23H32N8/c1-2-19(17-11-13-24-14-12-17)26-22(20-16-25-21-10-4-3-7-15-30(20)21)23-27-28-29-31(23)18-8-5-6-9-18/h11-14,16,18-19,22,26H,2-10,15H2,1H3
InChIKeyYMFSZOWKIQZWHC-UHFFFAOYSA-N
MW420.57 g/mol
LogP3.94
Rot. Bonds7

About N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine

N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 166393317) has the molecular formula C23H32N8 and a molecular weight of 420.57 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID166393317
Molecular FormulaC23H32N8
Molecular Weight420.57 g/mol
Exact Mass420.27
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NC(c1nnnn1C1CCCC1)c1cnc2n1CCCCC2)c1ccncc1
InChIInChI=1S/C23H32N8/c1-2-19(17-11-13-24-14-12-17)26-22(20-16-25-21-10-4-3-7-15-30(20)21)23-27-28-29-31(23)18-8-5-6-9-18/h11-14,16,18-19,22,26H,2-10,15H2,1H3
InChIKeyYMFSZOWKIQZWHC-UHFFFAOYSA-N
XLogP3.94
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine (CID 166393317) is N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine is CCC(NC(c1nnnn1C1CCCC1)c1cnc2n1CCCCC2)c1ccncc1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is YMFSZOWKIQZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8/c1-2-19(17-11-13-24-14-12-17)26-22(20-16-25-21-10-4-3-7-15-30(20)21)23-27-28-29-31(23)18-8-5-6-9-18/h11-14,16,18-19,22,26H,2-10,15H2,1H3.
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 420.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 166393317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).