[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol

C23H27FN6O — CID 129256804

IUPAC[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol
SMILESCc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(CO)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27FN6O/c1-15-10-20-21(12-25-15)28-23(22(27-20)26-18-4-5-18)30-8-6-29(7-9-30)13-17-3-2-16(14-31)11-19(17)24/h2-3,10-12,18,31H,4-9,13-14H2,1H3,(H,26,27)
InChIKeyWKDPPIOUKFNXDQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.86
Rot. Bonds6

About [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol

[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol (PubChem CID 129256804) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol
PubChem CID129256804
Molecular FormulaC23H27FN6O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol
SMILESCc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(CO)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27FN6O/c1-15-10-20-21(12-25-15)28-23(22(27-20)26-18-4-5-18)30-8-6-29(7-9-30)13-17-3-2-16(14-31)11-19(17)24/h2-3,10-12,18,31H,4-9,13-14H2,1H3,(H,26,27)
InChIKeyWKDPPIOUKFNXDQ-UHFFFAOYSA-N
XLogP2.86
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol (CID 129256804) is [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol is Cc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(CO)cc4F)CC3)nc2cn1.
What is the InChIKey of [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol?
The InChIKey is WKDPPIOUKFNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-15-10-20-21(12-25-15)28-23(22(27-20)26-18-4-5-18)30-8-6-29(7-9-30)13-17-3-2-16(14-31)11-19(17)24/h2-3,10-12,18,31H,4-9,13-14H2,1H3,(H,26,27).
What are the key properties of [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol?
[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol has a molecular weight of 422.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol is sourced from PubChem (CID 129256804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).