2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide

C19H19ClFN7O2 — CID 130299772

IUPAC2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
SMILESNc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C19H19ClFN7O2/c20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19/h1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25)
InChIKeyIBEQEPQLPZCQPC-UHFFFAOYSA-N
MW431.86 g/mol
LogP1.51
Rot. Bonds7

About 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide

2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide (PubChem CID 130299772) has the molecular formula C19H19ClFN7O2 and a molecular weight of 431.86 g/mol. Its IUPAC name is 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
PubChem CID130299772
Molecular FormulaC19H19ClFN7O2
Molecular Weight431.86 g/mol
Exact Mass431.13
IUPAC Name2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
SMILESNc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C19H19ClFN7O2/c20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19/h1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25)
InChIKeyIBEQEPQLPZCQPC-UHFFFAOYSA-N
XLogP1.51
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
(2R)-1-[(3aS,7aR)-6-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-(3-chloro-5-fluoroanilino)-2-cyclopropylethanone
CID 168274958
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 930787
1-(4-chlorobenzyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8071339
1-(2-chlorobenzyl)-N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072246
1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072452
(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 67066715
(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 67066723
1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24807252
(R)-1-(4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-2-amino-3-(4-chlorophenyl)propan-1-one
CID 52947582
1-[2-[(1R,3S,5R)-3-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 162653617
(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R,4S)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetamide
CID 168271905

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The IUPAC name of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide (CID 130299772) is 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide is Nc1ncnc2c1cnn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The InChIKey is IBEQEPQLPZCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN7O2/c20-14-3-1-2-11(17(14)21)6-23-15(29)8-27(12-4-5-12)16(30)9-28-19-13(7-26-28)18(22)24-10-25-19/h1-3,7,10,12H,4-6,8-9H2,(H,23,29)(H2,22,24,25).
What are the key properties of 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide has a molecular weight of 431.86 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide is sourced from PubChem (CID 130299772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).