N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide

C23H20N4O — CID 118660612

IUPACN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
InChIKeyALVRKNONSXJKLX-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.19
Rot. Bonds4

About N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide

N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (PubChem CID 118660612) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
PubChem CID118660612
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
InChIKeyALVRKNONSXJKLX-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide (CID 118660612) is N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
The InChIKey is ALVRKNONSXJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide?
N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 118660612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).