N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide

C21H22ClN7O — CID 143744472

IUPACN-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide
SMILESCN(C=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C21H22ClN7O/c1-27(12-30)28-8-5-13(6-9-28)21-26-18(19-20(23)24-7-10-29(19)21)16-11-14-3-2-4-15(22)17(14)25-16/h2-4,7,10-13,25H,5-6,8-9H2,1H3,(H2,23,24)
InChIKeyIBPHEXINMKHEKS-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.30
Rot. Bonds4

About N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide

N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide (PubChem CID 143744472) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide
PubChem CID143744472
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC NameN-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide
SMILESCN(C=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C21H22ClN7O/c1-27(12-30)28-8-5-13(6-9-28)21-26-18(19-20(23)24-7-10-29(19)21)16-11-14-3-2-4-15(22)17(14)25-16/h2-4,7,10-13,25H,5-6,8-9H2,1H3,(H2,23,24)
InChIKeyIBPHEXINMKHEKS-UHFFFAOYSA-N
XLogP3.30
TPSA95.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 90798674
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59286100
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133016
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 159779813
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 59133083
1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 143469271
[4-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]phenyl]-oxidoazanium;hydrate
CID 159246300
1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469524
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 16678865

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide?
The IUPAC name of N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide (CID 143744472) is N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide.
What is the SMILES notation for N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide?
The canonical SMILES for N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide is CN(C=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide?
The InChIKey is IBPHEXINMKHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-27(12-30)28-8-5-13(6-9-28)21-26-18(19-20(23)24-7-10-29(19)21)16-11-14-3-2-4-15(22)17(14)25-16/h2-4,7,10-13,25H,5-6,8-9H2,1H3,(H2,23,24).
What are the key properties of N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide?
N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide has a molecular weight of 423.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide is sourced from PubChem (CID 143744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).