2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid

C19H15N5O5 — CID 54741116

IUPAC2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cnc(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C19H15N5O5/c1-24-17-10(15(27)14(19(24)29)18(28)21-8-13(25)26)7-20-16(23-17)12-6-9-4-2-3-5-11(9)22-12/h2-7,22,27H,8H2,1H3,(H,21,28)(H,25,26)
InChIKeyBYSHAOBQPIHFMS-UHFFFAOYSA-N
MW393.36 g/mol
LogP1.00
Rot. Bonds4

About 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid

2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid (PubChem CID 54741116) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid
PubChem CID54741116
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC Name2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cnc(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C19H15N5O5/c1-24-17-10(15(27)14(19(24)29)18(28)21-8-13(25)26)7-20-16(23-17)12-6-9-4-2-3-5-11(9)22-12/h2-7,22,27H,8H2,1H3,(H,21,28)(H,25,26)
InChIKeyBYSHAOBQPIHFMS-UHFFFAOYSA-N
XLogP1.00
TPSA150.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid (CID 54741116) is 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cnc(-c3cc4ccccc4[nH]3)nc21.
What is the InChIKey of 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid?
The InChIKey is BYSHAOBQPIHFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5/c1-24-17-10(15(27)14(19(24)29)18(28)21-8-13(25)26)7-20-16(23-17)12-6-9-4-2-3-5-11(9)22-12/h2-7,22,27H,8H2,1H3,(H,21,28)(H,25,26).
What are the key properties of 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid?
2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid has a molecular weight of 393.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-hydroxy-2-(1H-indol-2-yl)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 54741116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).