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

C22H23F2N5O — CID 118308541

IUPACN-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)28-22(21(27-18)26-15-3-4-15)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)
InChIKeyYCGAMLBRDXJFJF-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.23
Rot. Bonds5

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

N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308541) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
PubChem CID118308541
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)28-22(21(27-18)26-15-3-4-15)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)
InChIKeyYCGAMLBRDXJFJF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[(propan-2-yl)amino]-5H,6H,7H,8H-pyrido[3,4-b]pyrazin-6-yl}ethan-1-one
CID 91810771
(R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine
CID 155803648
2-chloro-N-(3-fluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
CID 164611321
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
N-(2,6-difluorophenyl)-4-(4-(6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide
CID 11203411
6-(2-Morpholinoethylamino)-4-(4-phenoxyphenylamino)-1,7-naphthyridine-3-carbonitrile
CID 44405504
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-(methylamino)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 44426283
8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-(oxan-4-yl)purine-2,8-diamine
CID 57395802
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
CID 91827633
8-(4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049998
8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050047
8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine (CID 118308541) is N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine is Cc1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is YCGAMLBRDXJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-13-10-18-19(12-25-13)28-22(21(27-18)26-15-3-4-15)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-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-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-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).