7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C22H20N6O — CID 71566130

IUPAC7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1
InChIInChI=1S/C22H20N6O/c1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15/h2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29)
InChIKeyZCOLFLOOQUDJRO-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.99
Rot. Bonds5

About 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 71566130) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID71566130
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1
InChIInChI=1S/C22H20N6O/c1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15/h2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29)
InChIKeyZCOLFLOOQUDJRO-UHFFFAOYSA-N
XLogP2.99
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 71566130) is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.
What is the InChIKey of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is ZCOLFLOOQUDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15/h2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29).
What are the key properties of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71566130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).