(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide

C19H16N6O — CID 95767770

IUPAC(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1ncnc2[nH]ncc12)c1ccccc1
InChIInChI=1S/C19H16N6O/c26-19(23-14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)24-17-15-11-22-25-18(15)21-12-20-17/h1-12,16H,(H,23,26)(H2,20,21,22,24,25)/t16-/m0/s1
InChIKeySCFWPFWCORXVCW-INIZCTEOSA-N
MW344.38 g/mol
LogP3.14
Rot. Bonds5

About (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide

(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide (PubChem CID 95767770) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound Name(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
PubChem CID95767770
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1ncnc2[nH]ncc12)c1ccccc1
InChIInChI=1S/C19H16N6O/c26-19(23-14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)24-17-15-11-22-25-18(15)21-12-20-17/h1-12,16H,(H,23,26)(H2,20,21,22,24,25)/t16-/m0/s1
InChIKeySCFWPFWCORXVCW-INIZCTEOSA-N
XLogP3.14
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
CID 102554259
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
CID 122050367
1-(4-phenylbutyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011931
3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
CID 133416677
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
CID 142065920
(2R)-2-formamido-N,2-diphenylacetamide
CID 167282535
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide (CID 95767770) is (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide is O=C(Nc1ccccc1)[C@@H](Nc1ncnc2[nH]ncc12)c1ccccc1.
What is the InChIKey of (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is SCFWPFWCORXVCW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(23-14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)24-17-15-11-22-25-18(15)21-12-20-17/h1-12,16H,(H,23,26)(H2,20,21,22,24,25)/t16-/m0/s1.
What are the key properties of (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide?
(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 95767770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).