(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide

C18H17N7O — CID 175994891

IUPAC(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
SMILESNC[C@@H](C(=O)Nc1ncnc2c(-c3cn[nH]c3)c[nH]c12)c1ccccc1
InChIInChI=1S/C18H17N7O/c19-6-13(11-4-2-1-3-5-11)18(26)25-17-16-15(21-10-22-17)14(9-20-16)12-7-23-24-8-12/h1-5,7-10,13,20H,6,19H2,(H,23,24)(H,21,22,25,26)/t13-/m1/s1
InChIKeyHBAGXGNSFUECBF-CYBMUJFWSA-N
MW347.38 g/mol
LogP2.03
Rot. Bonds5

About (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide

(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide (PubChem CID 175994891) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
PubChem CID175994891
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
SMILESNC[C@@H](C(=O)Nc1ncnc2c(-c3cn[nH]c3)c[nH]c12)c1ccccc1
InChIInChI=1S/C18H17N7O/c19-6-13(11-4-2-1-3-5-11)18(26)25-17-16-15(21-10-22-17)14(9-20-16)12-7-23-24-8-12/h1-5,7-10,13,20H,6,19H2,(H,23,24)(H,21,22,25,26)/t13-/m1/s1
InChIKeyHBAGXGNSFUECBF-CYBMUJFWSA-N
XLogP2.03
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 178185488
2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994895
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide?
The IUPAC name of (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide (CID 175994891) is (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide is NC[C@@H](C(=O)Nc1ncnc2c(-c3cn[nH]c3)c[nH]c12)c1ccccc1.
What is the InChIKey of (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide?
The InChIKey is HBAGXGNSFUECBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N7O/c19-6-13(11-4-2-1-3-5-11)18(26)25-17-16-15(21-10-22-17)14(9-20-16)12-7-23-24-8-12/h1-5,7-10,13,20H,6,19H2,(H,23,24)(H,21,22,25,26)/t13-/m1/s1.
What are the key properties of (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide?
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 175994891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).