7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C20H22ClN5 — CID 71113328

IUPAC7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1ccc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)cc1Cl
InChIInChI=1S/C20H22ClN5/c1-13-4-5-15(9-16(13)21)17-10-18-19(24-8-7-23-18)20(26-17)25-12-14-3-2-6-22-11-14/h4-5,7-10,14,22H,2-3,6,11-12H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyTWTVRYQNECRTDB-CQSZACIVSA-N
MW367.88 g/mol
LogP4.07
Rot. Bonds4

About 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113328) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113328
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1ccc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)cc1Cl
InChIInChI=1S/C20H22ClN5/c1-13-4-5-15(9-16(13)21)17-10-18-19(24-8-7-23-18)20(26-17)25-12-14-3-2-6-22-11-14/h4-5,7-10,14,22H,2-3,6,11-12H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyTWTVRYQNECRTDB-CQSZACIVSA-N
XLogP4.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

Falnidamol
CID 6918508
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Bms-279700
CID 9844320
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
3-(2,6-Dichlorophenyl)-1,6-naphthyridine-2,7-diamine
CID 5328993
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 28
CID 5330364
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113328) is 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is Cc1ccc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)cc1Cl.
What is the InChIKey of 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is TWTVRYQNECRTDB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-13-4-5-15(9-16(13)21)17-10-18-19(24-8-7-23-18)20(26-17)25-12-14-3-2-6-22-11-14/h4-5,7-10,14,22H,2-3,6,11-12H2,1H3,(H,25,26)/t14-/m1/s1.
What are the key properties of 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 367.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).