N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C20H21N7O2 — CID 109066856

IUPACN-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)n2ccccc12
InChIInChI=1S/C20H21N7O2/c1-2-7-21-18(28)16-15-6-3-4-10-27(15)17(24-16)19(29)25-11-13-26(14-12-25)20-22-8-5-9-23-20/h2-6,8-10H,1,7,11-14H2,(H,21,28)
InChIKeyWVDLHOSZORZZIK-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.00
Rot. Bonds5

About N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109066856) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109066856
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)n2ccccc12
InChIInChI=1S/C20H21N7O2/c1-2-7-21-18(28)16-15-6-3-4-10-27(15)17(24-16)19(29)25-11-13-26(14-12-25)20-22-8-5-9-23-20/h2-6,8-10H,1,7,11-14H2,(H,21,28)
InChIKeyWVDLHOSZORZZIK-UHFFFAOYSA-N
XLogP1.00
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
1-(piperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066963
1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067029
3-(3-methylpiperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066867
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109066856) is N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is C=CCNC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)n2ccccc12.
What is the InChIKey of N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is WVDLHOSZORZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-7-21-18(28)16-15-6-3-4-10-27(15)17(24-16)19(29)25-11-13-26(14-12-25)20-22-8-5-9-23-20/h2-6,8-10H,1,7,11-14H2,(H,21,28).
What are the key properties of N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109066856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).