(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid

C17H23N5O5 — CID 120695761

IUPAC(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H23N5O5/c1-9(2)6-12(17(26)27)21-15(24)8-18-14(23)7-11-10(3)20-13-4-5-19-22(13)16(11)25/h4-5,9,12,19H,6-8H2,1-3H3,(H,18,23)(H,21,24)(H,26,27)/t12-/m0/s1
InChIKeyWTJSUDGINYDPSO-LBPRGKRZSA-N
MW377.40 g/mol
LogP-0.39
Rot. Bonds8

About (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid (PubChem CID 120695761) has the molecular formula C17H23N5O5 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
PubChem CID120695761
Molecular FormulaC17H23N5O5
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H23N5O5/c1-9(2)6-12(17(26)27)21-15(24)8-18-14(23)7-11-10(3)20-13-4-5-19-22(13)16(11)25/h4-5,9,12,19H,6-8H2,1-3H3,(H,18,23)(H,21,24)(H,26,27)/t12-/m0/s1
InChIKeyWTJSUDGINYDPSO-LBPRGKRZSA-N
XLogP-0.39
TPSA145.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 111102305
3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196288
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide
CID 75455469
(2S)-2-[[2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695239
(2S)-4-methyl-2-[[2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]acetyl]amino]pentanoic acid
CID 120695655
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 138997643
(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
N-[[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166195945
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 6992871

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid (CID 120695761) is (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid?
The InChIKey is WTJSUDGINYDPSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O5/c1-9(2)6-12(17(26)27)21-15(24)8-18-14(23)7-11-10(3)20-13-4-5-19-22(13)16(11)25/h4-5,9,12,19H,6-8H2,1-3H3,(H,18,23)(H,21,24)(H,26,27)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid has a molecular weight of 377.40 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).