N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine

C17H18Cl2FN5 — CID 69404128

IUPACN-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
SMILESCC(Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C1CC1
InChIInChI=1S/C17H18Cl2FN5/c1-8(9-2-3-9)24-14-12(13-11(19)6-10(18)7-23-13)16(20)25-17-15(14)21-4-5-22-17/h6-9,21H,2-5H2,1H3,(H2,22,24,25)
InChIKeyOIPWPRIHKNZHAO-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.64
Rot. Bonds4

About N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine

N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine (PubChem CID 69404128) has the molecular formula C17H18Cl2FN5 and a molecular weight of 382.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
PubChem CID69404128
Molecular FormulaC17H18Cl2FN5
Molecular Weight382.27 g/mol
Exact Mass381.09
IUPAC NameN-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
SMILESCC(Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C1CC1
InChIInChI=1S/C17H18Cl2FN5/c1-8(9-2-3-9)24-14-12(13-11(19)6-10(18)7-23-13)16(20)25-17-15(14)21-4-5-22-17/h6-9,21H,2-5H2,1H3,(H2,22,24,25)
InChIKeyOIPWPRIHKNZHAO-UHFFFAOYSA-N
XLogP4.64
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
CID 143518943
5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
CID 115766716
3,5,6-trichloro-N-(1-cyclopropylethyl)pyridin-2-amine
CID 102750364
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
CID 59007738
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-cyclohexylethyl]-5-fluoropyrimidin-4-amine;molecular hydrogen
CID 161112624
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
3,5-dichloro-2-pyrrolidin-3-yloxypyridine
CID 62347674

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine (CID 69404128) is N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine is CC(Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The InChIKey is OIPWPRIHKNZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN5/c1-8(9-2-3-9)24-14-12(13-11(19)6-10(18)7-23-13)16(20)25-17-15(14)21-4-5-22-17/h6-9,21H,2-5H2,1H3,(H2,22,24,25).
What are the key properties of N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine has a molecular weight of 382.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 69404128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).