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

C23H25F2N5 — CID 118308506

IUPACN-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Cc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1
InChIInChI=1S/C23H25F2N5/c1-14-10-20-21(13-26-14)28-22(27-18-4-5-18)23(29-20)30-8-6-15(7-9-30)11-16-2-3-17(24)12-19(16)25/h2-3,10,12-13,15,18H,4-9,11H2,1H3,(H,27,28)
InChIKeyFJHURRCOBKWULP-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.64
Rot. Bonds5

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

N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine (PubChem CID 118308506) has the molecular formula C23H25F2N5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
PubChem CID118308506
Molecular FormulaC23H25F2N5
Molecular Weight409.48 g/mol
Exact Mass409.21
IUPAC NameN-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Cc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1
InChIInChI=1S/C23H25F2N5/c1-14-10-20-21(13-26-14)28-22(27-18-4-5-18)23(29-20)30-8-6-15(7-9-30)11-16-2-3-17(24)12-19(16)25/h2-3,10,12-13,15,18H,4-9,11H2,1H3,(H,27,28)
InChIKeyFJHURRCOBKWULP-UHFFFAOYSA-N
XLogP4.64
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine (CID 118308506) is N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine is Cc1cc2nc(N3CCC(Cc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
The InChIKey is FJHURRCOBKWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5/c1-14-10-20-21(13-26-14)28-22(27-18-4-5-18)23(29-20)30-8-6-15(7-9-30)11-16-2-3-17(24)12-19(16)25/h2-3,10,12-13,15,18H,4-9,11H2,1H3,(H,27,28).
What are the key properties of N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine?
N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine has a molecular weight of 409.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118308506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).