N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine

C22H23F2N5O — CID 118320493

IUPACN-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1
InChIInChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)27-21(26-15-3-4-15)22(28-18)29-8-6-16(7-9-29)30-20-5-2-14(23)11-17(20)24/h2,5,10-12,15-16H,3-4,6-9H2,1H3,(H,26,27)
InChIKeyIBLPZZIMYVKCTJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.23
Rot. Bonds5

About N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine

N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine (PubChem CID 118320493) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
PubChem CID118320493
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1
InChIInChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)27-21(26-15-3-4-15)22(28-18)29-8-6-16(7-9-29)30-20-5-2-14(23)11-17(20)24/h2,5,10-12,15-16H,3-4,6-9H2,1H3,(H,26,27)
InChIKeyIBLPZZIMYVKCTJ-UHFFFAOYSA-N
XLogP4.23
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine (CID 118320493) is N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine is Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The InChIKey is IBLPZZIMYVKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)27-21(26-15-3-4-15)22(28-18)29-8-6-16(7-9-29)30-20-5-2-14(23)11-17(20)24/h2,5,10-12,15-16H,3-4,6-9H2,1H3,(H,26,27).
What are the key properties of N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine has a molecular weight of 411.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118320493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).