2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide

C25H27N7O — CID 163932356

IUPAC2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide
SMILESC[C@H](CCCc1ccccc1)C1NC1CC(=O)Nc1ccc2ncc(-c3cn[nH]c3)nc2n1
InChIInChI=1S/C25H27N7O/c1-16(6-5-9-17-7-3-2-4-8-17)24-20(29-24)12-23(33)31-22-11-10-19-25(32-22)30-21(15-26-19)18-13-27-28-14-18/h2-4,7-8,10-11,13-16,20,24,29H,5-6,9,12H2,1H3,(H,27,28)(H,30,31,32,33)/t16-,20?,24?/m1/s1
InChIKeyRJTQRPAUSOAGMB-VIBJYCFESA-N
MW441.54 g/mol
LogP3.74
Rot. Bonds9

About 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide

2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide (PubChem CID 163932356) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide
PubChem CID163932356
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide
SMILESC[C@H](CCCc1ccccc1)C1NC1CC(=O)Nc1ccc2ncc(-c3cn[nH]c3)nc2n1
InChIInChI=1S/C25H27N7O/c1-16(6-5-9-17-7-3-2-4-8-17)24-20(29-24)12-23(33)31-22-11-10-19-25(32-22)30-21(15-26-19)18-13-27-28-14-18/h2-4,7-8,10-11,13-16,20,24,29H,5-6,9,12H2,1H3,(H,27,28)(H,30,31,32,33)/t16-,20?,24?/m1/s1
InChIKeyRJTQRPAUSOAGMB-VIBJYCFESA-N
XLogP3.74
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate
CID 123926799
1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70854667
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558186
1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 141348291
N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide
CID 163711247
1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70836165
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
1-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70836168
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide?
The IUPAC name of 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide (CID 163932356) is 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide.
What is the SMILES notation for 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide?
The canonical SMILES for 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide is C[C@H](CCCc1ccccc1)C1NC1CC(=O)Nc1ccc2ncc(-c3cn[nH]c3)nc2n1.
What is the InChIKey of 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide?
The InChIKey is RJTQRPAUSOAGMB-VIBJYCFESA-N. The full InChI is InChI=1S/C25H27N7O/c1-16(6-5-9-17-7-3-2-4-8-17)24-20(29-24)12-23(33)31-22-11-10-19-25(32-22)30-21(15-26-19)18-13-27-28-14-18/h2-4,7-8,10-11,13-16,20,24,29H,5-6,9,12H2,1H3,(H,27,28)(H,30,31,32,33)/t16-,20?,24?/m1/s1.
What are the key properties of 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide?
2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide is sourced from PubChem (CID 163932356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).