N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide

C24H35N5O3 — CID 4688504

IUPACN-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)C4CCCCN4C3=O)CC2)c1
InChIInChI=1S/C24H35N5O3/c1-18(2)22(30)25-19-7-5-8-20(17-19)27-15-13-26(14-16-27)10-6-12-29-23(31)21-9-3-4-11-28(21)24(29)32/h5,7-8,17-18,21H,3-4,6,9-16H2,1-2H3,(H,25,30)
InChIKeyIKCQRAAEOYJOJX-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.61
Rot. Bonds7

About N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide

N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 4688504) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
PubChem CID4688504
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)C4CCCCN4C3=O)CC2)c1
InChIInChI=1S/C24H35N5O3/c1-18(2)22(30)25-19-7-5-8-20(17-19)27-15-13-26(14-16-27)10-6-12-29-23(31)21-9-3-4-11-28(21)24(29)32/h5,7-8,17-18,21H,3-4,6,9-16H2,1-2H3,(H,25,30)
InChIKeyIKCQRAAEOYJOJX-UHFFFAOYSA-N
XLogP2.61
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide (CID 4688504) is N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)C4CCCCN4C3=O)CC2)c1.
What is the InChIKey of N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is IKCQRAAEOYJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18(2)22(30)25-19-7-5-8-20(17-19)27-15-13-26(14-16-27)10-6-12-29-23(31)21-9-3-4-11-28(21)24(29)32/h5,7-8,17-18,21H,3-4,6,9-16H2,1-2H3,(H,25,30).
What are the key properties of N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 441.58 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 4688504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).