N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide

C22H20ClN5O — CID 24567449

IUPACN-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1nn2c(nc(NCc3cccc(NC(=O)C4CC4)c3)c3ccccc32)c1Cl
InChIInChI=1S/C22H20ClN5O/c1-13-19(23)21-26-20(17-7-2-3-8-18(17)28(21)27-13)24-12-14-5-4-6-16(11-14)25-22(29)15-9-10-15/h2-8,11,15H,9-10,12H2,1H3,(H,24,26)(H,25,29)
InChIKeyURFFVGBYUBIHNP-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.80
Rot. Bonds5

About N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24567449) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24567449
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC NameN-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1nn2c(nc(NCc3cccc(NC(=O)C4CC4)c3)c3ccccc32)c1Cl
InChIInChI=1S/C22H20ClN5O/c1-13-19(23)21-26-20(17-7-2-3-8-18(17)28(21)27-13)24-12-14-5-4-6-16(11-14)25-22(29)15-9-10-15/h2-8,11,15H,9-10,12H2,1H3,(H,24,26)(H,25,29)
InChIKeyURFFVGBYUBIHNP-UHFFFAOYSA-N
XLogP4.80
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[3-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 71213586
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CID 24685608
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
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N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
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N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415
N-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cycloheptanecarboxamide
CID 21067621
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29304202
CID 89365717
CID 89365717
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide (CID 24567449) is N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide is Cc1nn2c(nc(NCc3cccc(NC(=O)C4CC4)c3)c3ccccc32)c1Cl.
What is the InChIKey of N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is URFFVGBYUBIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-13-19(23)21-26-20(17-7-2-3-8-18(17)28(21)27-13)24-12-14-5-4-6-16(11-14)25-22(29)15-9-10-15/h2-8,11,15H,9-10,12H2,1H3,(H,24,26)(H,25,29).
What are the key properties of N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).