N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide

C23H27N7O — CID 41241858

IUPACN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H27N7O/c1-4-9-17(10-5-2)23(31)27-20-13-16(3)28-30(20)22-19-14-26-29(21(19)24-15-25-22)18-11-7-6-8-12-18/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,27,31)
InChIKeyXQAXRRLQXHNJOG-UHFFFAOYSA-N
MW417.52 g/mol
LogP4.46
Rot. Bonds8

About N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide (PubChem CID 41241858) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
PubChem CID41241858
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H27N7O/c1-4-9-17(10-5-2)23(31)27-20-13-16(3)28-30(20)22-19-14-26-29(21(19)24-15-25-22)18-11-7-6-8-12-18/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,27,31)
InChIKeyXQAXRRLQXHNJOG-UHFFFAOYSA-N
XLogP4.46
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
(2R)-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 41165407
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
(2S)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 27620587
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
CID 18570069
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 44907684
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570123
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]pentanamide
CID 18570076
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 41241895

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide?
The IUPAC name of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide (CID 41241858) is N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide.
What is the SMILES notation for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide?
The canonical SMILES for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide?
The InChIKey is XQAXRRLQXHNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-9-17(10-5-2)23(31)27-20-13-16(3)28-30(20)22-19-14-26-29(21(19)24-15-25-22)18-11-7-6-8-12-18/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,27,31).
What are the key properties of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide?
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide has a molecular weight of 417.52 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide is sourced from PubChem (CID 41241858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).