4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

C22H26FN7O — CID 42675789

IUPAC4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN7O/c1-14(2)25-22(31)29-11-9-28(10-12-29)20-18-13-24-30(17-7-5-16(23)6-8-17)21(18)27-19(26-20)15-3-4-15/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,25,31)
InChIKeyCTKAGAYUHWIWKJ-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.07
Rot. Bonds4

About 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42675789) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42675789
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN7O/c1-14(2)25-22(31)29-11-9-28(10-12-29)20-18-13-24-30(17-7-5-16(23)6-8-17)21(18)27-19(26-20)15-3-4-15/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,25,31)
InChIKeyCTKAGAYUHWIWKJ-UHFFFAOYSA-N
XLogP3.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42675585
4-[1-(3-chlorophenyl)-6-cyclopropylpyrazolo[5,4-d]pyrimidin-4-yl]-N-ethyl-1,4-diazepane-1-carboxamide
CID 42673770
[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 42674111
4-[1-(3-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 42673766
1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42671981
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946
[4-(6-butan-2-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 42673993
N-tert-butyl-4-(1-phenyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 42674155
2-methyl-1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675626
6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42671904
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
[4-[6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671572

Frequently Asked Questions

What is the IUPAC name of 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 42675789) is 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is CTKAGAYUHWIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-14(2)25-22(31)29-11-9-28(10-12-29)20-18-13-24-30(17-7-5-16(23)6-8-17)21(18)27-19(26-20)15-3-4-15/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,25,31).
What are the key properties of 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42675789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).