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

C22H22ClF2N5 — CID 90037926

IUPAC7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(CC2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C22H22ClF2N5/c23-20-11-18-19(12-26-20)29-22(21(28-18)27-16-3-4-16)30-7-5-13(6-8-30)9-14-1-2-15(24)10-17(14)25/h1-2,10-13,16H,3-9H2,(H,27,28)
InChIKeyZSMHCVLQLCALPJ-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.99
Rot. Bonds5

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

7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 90037926) has the molecular formula C22H22ClF2N5 and a molecular weight of 429.90 g/mol. Its IUPAC name is 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID90037926
Molecular FormulaC22H22ClF2N5
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESFc1ccc(CC2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C22H22ClF2N5/c23-20-11-18-19(12-26-20)29-22(21(28-18)27-16-3-4-16)30-7-5-13(6-8-30)9-14-1-2-15(24)10-17(14)25/h1-2,10-13,16H,3-9H2,(H,27,28)
InChIKeyZSMHCVLQLCALPJ-UHFFFAOYSA-N
XLogP4.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.99
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-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 90037926) is 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Fc1ccc(CC2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1.
What is the InChIKey of 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is ZSMHCVLQLCALPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2N5/c23-20-11-18-19(12-26-20)29-22(21(28-18)27-16-3-4-16)30-7-5-13(6-8-30)9-14-1-2-15(24)10-17(14)25/h1-2,10-13,16H,3-9H2,(H,27,28).
What are the key properties of 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 429.90 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 90037926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).