3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine

C22H21ClF3N5 — CID 118308672

IUPAC3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(Cl)cc1C(F)(F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21ClF3N5/c23-14-1-4-17(24)16(11-14)22(25,26)13-6-9-31(10-7-13)21-20(28-15-2-3-15)29-18-5-8-27-12-19(18)30-21/h1,4-5,8,11-13,15H,2-3,6-7,9-10H2,(H,28,29)
InChIKeyRBWQIYAMJPQFER-UHFFFAOYSA-N
MW447.89 g/mol
LogP5.40
Rot. Bonds5

About 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine

3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308672) has the molecular formula C22H21ClF3N5 and a molecular weight of 447.89 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine
PubChem CID118308672
Molecular FormulaC22H21ClF3N5
Molecular Weight447.89 g/mol
Exact Mass447.14
IUPAC Name3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(Cl)cc1C(F)(F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21ClF3N5/c23-14-1-4-17(24)16(11-14)22(25,26)13-6-9-31(10-7-13)21-20(28-15-2-3-15)29-18-5-8-27-12-19(18)30-21/h1,4-5,8,11-13,15H,2-3,6-7,9-10H2,(H,28,29)
InChIKeyRBWQIYAMJPQFER-UHFFFAOYSA-N
XLogP5.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.89
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine with MolForge

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Related Compounds

Falnidamol
CID 6918508
Seletalisib
CID 56928390
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
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
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine (CID 118308672) is 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine is Fc1ccc(Cl)cc1C(F)(F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1.
What is the InChIKey of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is RBWQIYAMJPQFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5/c23-14-1-4-17(24)16(11-14)22(25,26)13-6-9-31(10-7-13)21-20(28-15-2-3-15)29-18-5-8-27-12-19(18)30-21/h1,4-5,8,11-13,15H,2-3,6-7,9-10H2,(H,28,29).
What are the key properties of 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine?
3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 447.89 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2-fluorophenyl)-difluoromethyl]piperidin-1-yl]-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).