(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide

C22H28N6O5 — CID 143336564

IUPAC(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide
SMILESCCCOCCn1c(=O)c(N[C@@H](CO)C(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H28N6O5/c1-4-8-33-9-7-28-17-10-15(14-5-6-18(32-3)24-11-14)12-25-19(17)27-20(22(28)31)26-16(13-29)21(30)23-2/h5-6,10-12,16,29H,4,7-9,13H2,1-3H3,(H,23,30)(H,25,26,27)/t16-/m0/s1
InChIKeyRZCXWGKAKDXWOO-INIZCTEOSA-N
MW456.50 g/mol
LogP0.81
Rot. Bonds11

About (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide

(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide (PubChem CID 143336564) has the molecular formula C22H28N6O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide
PubChem CID143336564
Molecular FormulaC22H28N6O5
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide
SMILESCCCOCCn1c(=O)c(N[C@@H](CO)C(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H28N6O5/c1-4-8-33-9-7-28-17-10-15(14-5-6-18(32-3)24-11-14)12-25-19(17)27-20(22(28)31)26-16(13-29)21(30)23-2/h5-6,10-12,16,29H,4,7-9,13H2,1-3H3,(H,23,30)(H,25,26,27)/t16-/m0/s1
InChIKeyRZCXWGKAKDXWOO-INIZCTEOSA-N
XLogP0.81
TPSA140.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide with MolForge

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Related Compounds

3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320428
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
3-[[(2R)-2-hydroxypropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486564
3-[2-(4-fluoroanilino)ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70321011
3-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486498
3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336560
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320421
3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320633
7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320175
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320991
3-[[3-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336488
3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide (CID 143336564) is (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide is CCCOCCn1c(=O)c(N[C@@H](CO)C(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide?
The InChIKey is RZCXWGKAKDXWOO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N6O5/c1-4-8-33-9-7-28-17-10-15(14-5-6-18(32-3)24-11-14)12-25-19(17)27-20(22(28)31)26-16(13-29)21(30)23-2/h5-6,10-12,16,29H,4,7-9,13H2,1-3H3,(H,23,30)(H,25,26,27)/t16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide?
(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide has a molecular weight of 456.50 g/mol, XLogP of 0.81, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 143336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).