7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C19H19ClFN5 — CID 71113679

IUPAC7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESFc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1Cl
InChIInChI=1S/C19H19ClFN5/c20-14-8-13(3-4-15(14)21)16-9-17-18(24-7-6-23-17)19(26-16)25-11-12-2-1-5-22-10-12/h3-4,6-9,12,22H,1-2,5,10-11H2,(H,25,26)
InChIKeyOWHNXWHWDSVEOE-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.90
Rot. Bonds4

About 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113679) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113679
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESFc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1Cl
InChIInChI=1S/C19H19ClFN5/c20-14-8-13(3-4-15(14)21)16-9-17-18(24-7-6-23-17)19(26-16)25-11-12-2-1-5-22-10-12/h3-4,6-9,12,22H,1-2,5,10-11H2,(H,25,26)
InChIKeyOWHNXWHWDSVEOE-UHFFFAOYSA-N
XLogP3.90
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012250
7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113886
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113761
7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 122527985
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684
N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66556702
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113342

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113679) is 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is Fc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1Cl.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is OWHNXWHWDSVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c20-14-8-13(3-4-15(14)21)16-9-17-18(24-7-6-23-17)19(26-16)25-11-12-2-1-5-22-10-12/h3-4,6-9,12,22H,1-2,5,10-11H2,(H,25,26).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 371.85 g/mol, XLogP of 3.90, 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-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).