N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine

C25H29FN6O3 — CID 135157504

IUPACN-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)c(F)c(N(CCCOC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C25H29FN6O3/c1-16(2)35-10-6-9-32(21-11-18(33-4)12-22(34-5)24(21)26)23-8-7-19-25(30-23)29-20(14-27-19)17-13-28-31(3)15-17/h7-8,11-16H,6,9-10H2,1-5H3
InChIKeyKULJCPLMWNADEE-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.53
Rot. Bonds10

About N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine

N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 135157504) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID135157504
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC NameN-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)c(F)c(N(CCCOC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C25H29FN6O3/c1-16(2)35-10-6-9-32(21-11-18(33-4)12-22(34-5)24(21)26)23-8-7-19-25(30-23)29-20(14-27-19)17-13-28-31(3)15-17/h7-8,11-16H,6,9-10H2,1-5H3
InChIKeyKULJCPLMWNADEE-UHFFFAOYSA-N
XLogP4.53
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine (CID 135157504) is N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)c(F)c(N(CCCOC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.
What is the InChIKey of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is KULJCPLMWNADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-16(2)35-10-6-9-32(21-11-18(33-4)12-22(34-5)24(21)26)23-8-7-19-25(30-23)29-20(14-27-19)17-13-28-31(3)15-17/h7-8,11-16H,6,9-10H2,1-5H3.
What are the key properties of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?
N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 480.54 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 135157504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).