7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C14H16ClF2N5 — CID 90126608

IUPAC7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCC(F)(F)[C@H](CNc2nc(Cl)cc3nccnc23)C1
InChIInChI=1S/C14H16ClF2N5/c1-22-5-2-14(16,17)9(8-22)7-20-13-12-10(6-11(15)21-13)18-3-4-19-12/h3-4,6,9H,2,5,7-8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyUGOIPUBQIJVZGX-SECBINFHSA-N
MW327.77 g/mol
LogP2.68
Rot. Bonds3

About 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 90126608) has the molecular formula C14H16ClF2N5 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID90126608
Molecular FormulaC14H16ClF2N5
Molecular Weight327.77 g/mol
Exact Mass327.11
IUPAC Name7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCC(F)(F)[C@H](CNc2nc(Cl)cc3nccnc23)C1
InChIInChI=1S/C14H16ClF2N5/c1-22-5-2-14(16,17)9(8-22)7-20-13-12-10(6-11(15)21-13)18-3-4-19-12/h3-4,6,9H,2,5,7-8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyUGOIPUBQIJVZGX-SECBINFHSA-N
XLogP2.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 90126608) is 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN1CCC(F)(F)[C@H](CNc2nc(Cl)cc3nccnc23)C1.
What is the InChIKey of 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is UGOIPUBQIJVZGX-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClF2N5/c1-22-5-2-14(16,17)9(8-22)7-20-13-12-10(6-11(15)21-13)18-3-4-19-12/h3-4,6,9H,2,5,7-8H2,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 327.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[(3R)-4,4-difluoro-1-methylpiperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 90126608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).