N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

C22H25N5O — CID 3239356

IUPACN-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12
InChIInChI=1S/C22H25N5O/c1-16(2)25-22(28)19-15-24-21(18-8-4-3-7-17(18)19)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h3-10,15-16H,11-14H2,1-2H3,(H,25,28)
InChIKeyVLLYOPWHMGRPFM-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.09
Rot. Bonds4

About N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide (PubChem CID 3239356) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
PubChem CID3239356
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12
InChIInChI=1S/C22H25N5O/c1-16(2)25-22(28)19-15-24-21(18-8-4-3-7-17(18)19)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h3-10,15-16H,11-14H2,1-2H3,(H,25,28)
InChIKeyVLLYOPWHMGRPFM-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide (CID 3239356) is N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide is CC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12.
What is the InChIKey of N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide?
The InChIKey is VLLYOPWHMGRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(2)25-22(28)19-15-24-21(18-8-4-3-7-17(18)19)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h3-10,15-16H,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide?
N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 3239356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).