(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C20H22ClN7O — CID 129237808

IUPAC(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILES[N-]=[N+]=NC[C@@H]1C(=O)Nc2ccc(Cl)nc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClN7O/c21-18-7-6-16-19(25-18)28(17(12-23-26-22)20(29)24-16)15-8-10-27(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,17H,8-13H2,(H,24,29)/t17-/m1/s1
InChIKeyWOSYGXRLMCVTEX-QGZVFWFLSA-N
MW411.90 g/mol
LogP3.84
Rot. Bonds5

About (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one

(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 129237808) has the molecular formula C20H22ClN7O and a molecular weight of 411.90 g/mol. Its IUPAC name is (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID129237808
Molecular FormulaC20H22ClN7O
Molecular Weight411.90 g/mol
Exact Mass411.16
IUPAC Name(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILES[N-]=[N+]=NC[C@@H]1C(=O)Nc2ccc(Cl)nc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClN7O/c21-18-7-6-16-19(25-18)28(17(12-23-26-22)20(29)24-16)15-8-10-27(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,17H,8-13H2,(H,24,29)/t17-/m1/s1
InChIKeyWOSYGXRLMCVTEX-QGZVFWFLSA-N
XLogP3.84
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-1-benzyl-7-chloro-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 118614662
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CID 115473848
1-(1-benzylpiperidin-4-yl)quinolin-2-one
CID 14969566
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
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CID 19848617
4-(1-benzylpiperidin-4-yl)-1H-1,2,4-triazole-5-thione
CID 29064621
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
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1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
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3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 129237808) is (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one is [N-]=[N+]=NC[C@@H]1C(=O)Nc2ccc(Cl)nc2N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is WOSYGXRLMCVTEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN7O/c21-18-7-6-16-19(25-18)28(17(12-23-26-22)20(29)24-16)15-8-10-27(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,17H,8-13H2,(H,24,29)/t17-/m1/s1.
What are the key properties of (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 411.90 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 129237808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).