1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol

C23H21FN8O — CID 67209509

IUPAC1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)nc(N)n1)c1ccccc1F
InChIInChI=1S/C23H21FN8O/c1-3-23(33,15-6-4-5-7-16(15)24)19-8-17(30-22(25)31-19)14-10-26-21-20(14)29-18(11-27-21)13-9-28-32(2)12-13/h4-12,33H,3H2,1-2H3,(H,26,27)(H2,25,30,31)
InChIKeyBIHRLMOXHSJRJW-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol

1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol (PubChem CID 67209509) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol
PubChem CID67209509
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)nc(N)n1)c1ccccc1F
InChIInChI=1S/C23H21FN8O/c1-3-23(33,15-6-4-5-7-16(15)24)19-8-17(30-22(25)31-19)14-10-26-21-20(14)29-18(11-27-21)13-9-28-32(2)12-13/h4-12,33H,3H2,1-2H3,(H,26,27)(H2,25,30,31)
InChIKeyBIHRLMOXHSJRJW-UHFFFAOYSA-N
XLogP3.18
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol with MolForge

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Related Compounds

4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 53259658
1-[2-amino-1-methyl-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2H-pyrimidin-4-yl]-1-(3-fluorophenyl)propan-1-ol
CID 137058043
4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274
(1S)-1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-3-ylethanol
CID 53252628
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
1-[2-methoxy-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol
CID 53253028
2-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]anilino]acetonitrile
CID 141466979
4-(5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 57335421
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382
3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
CID 141466978
4-N-benzyl-4-N-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335419
1-[2-amino-6-[5-(1-tert-butylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-(3-fluorophenyl)ethanol
CID 67208969

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol (CID 67209509) is 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol is CCC(O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)nc(N)n1)c1ccccc1F.
What is the InChIKey of 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is BIHRLMOXHSJRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c1-3-23(33,15-6-4-5-7-16(15)24)19-8-17(30-22(25)31-19)14-10-26-21-20(14)29-18(11-27-21)13-9-28-32(2)12-13/h4-12,33H,3H2,1-2H3,(H,26,27)(H2,25,30,31).
What are the key properties of 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol?
1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 444.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 67209509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).