(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid

C22H23N5O3 — CID 71113836

IUPAC(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H23N5O3/c28-22(29)16-5-8-27(14-16)21-20-19(23-6-7-24-20)13-18(25-21)15-1-3-17(4-2-15)26-9-11-30-12-10-26/h1-4,6-7,13,16H,5,8-12,14H2,(H,28,29)/t16-/m0/s1
InChIKeyFXXWQBMMBJNAEO-INIZCTEOSA-N
MW405.46 g/mol
LogP2.44
Rot. Bonds4

About (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid

(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 71113836) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
PubChem CID71113836
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H23N5O3/c28-22(29)16-5-8-27(14-16)21-20-19(23-6-7-24-20)13-18(25-21)15-1-3-17(4-2-15)26-9-11-30-12-10-26/h1-4,6-7,13,16H,5,8-12,14H2,(H,28,29)/t16-/m0/s1
InChIKeyFXXWQBMMBJNAEO-INIZCTEOSA-N
XLogP2.44
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-(8-(3-Cyanophenyl)-1,7-naphthyridin-6-yl)piperidine-4-carboxylic acid
CID 9998837
1-[8-(3-Fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 9999401
[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547819
[1-[3-[(3R)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58548012
7-(4-Morpholin-4-yl-phenyl)-pteridin-4-ylamine
CID 11023238
Sodium 1-[8-(3-fluoro-phenyl)-[1,7]naphthyridin-6-yl]-piperidine-4-carboxylate
CID 23688043
4-[4-[3-(Imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467558
8-[6-(Dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379581
1-[4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]phenyl]piperidine-4-carboxylic acid
CID 86346128
(2S)-2-(pyrido[3,2-d]pyrimidin-4-ylamino)-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 151685853
(S)-(1-(7-(4-morpholinophenyl)pyrido[4,3-b]pyrazin-5-yl)pyrrolidin-3-yl)methanamine
CID 71113335
(S)-N-(morpholin-2-ylmethyl)-7-(4-morpholinophenyl)pyrido[4,3-b]pyrazin-5-amine
CID 71113404

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid (CID 71113836) is (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is FXXWQBMMBJNAEO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-22(29)16-5-8-27(14-16)21-20-19(23-6-7-24-20)13-18(25-21)15-1-3-17(4-2-15)26-9-11-30-12-10-26/h1-4,6-7,13,16H,5,8-12,14H2,(H,28,29)/t16-/m0/s1.
What are the key properties of (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid?
(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 405.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71113836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).