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

C24H21N7O2 — CID 41165397

IUPAC(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C24H21N7O2/c1-16-13-21(28-24(32)17(2)33-19-11-7-4-8-12-19)31(29-16)23-20-14-27-30(22(20)25-15-26-23)18-9-5-3-6-10-18/h3-15,17H,1-2H3,(H,28,32)/t17-/m0/s1
InChIKeyUHJKOVQWMFNHJY-KRWDZBQOSA-N
MW439.48 g/mol
LogP3.72
Rot. Bonds6

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

(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide (PubChem CID 41165397) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
PubChem CID41165397
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C24H21N7O2/c1-16-13-21(28-24(32)17(2)33-19-11-7-4-8-12-19)31(29-16)23-20-14-27-30(22(20)25-15-26-23)18-9-5-3-6-10-18/h3-15,17H,1-2H3,(H,28,32)/t17-/m0/s1
InChIKeyUHJKOVQWMFNHJY-KRWDZBQOSA-N
XLogP3.72
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
CID 41241858
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
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
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 44907684
(2R)-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 41165407
(2S)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 27620587
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 41241895
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27477328
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18570173
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide (CID 41165397) is (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide is Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide?
The InChIKey is UHJKOVQWMFNHJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-13-21(28-24(32)17(2)33-19-11-7-4-8-12-19)31(29-16)23-20-14-27-30(22(20)25-15-26-23)18-9-5-3-6-10-18/h3-15,17H,1-2H3,(H,28,32)/t17-/m0/s1.
What are the key properties of (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide?
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide has a molecular weight of 439.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 41165397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).