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

C24H25FN8O — CID 137058043

IUPAC1-[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
SMILESCCC(O)(C1=NC(N)N(C)C(c2c[nH]c3ncc(-c4cnn(C)c4)nc23)=C1)c1cccc(F)c1
InChIInChI=1S/C24H25FN8O/c1-4-24(34,15-6-5-7-16(25)8-15)20-9-19(33(3)23(26)31-20)17-11-27-22-21(17)30-18(12-28-22)14-10-29-32(2)13-14/h5-13,23,34H,4,26H2,1-3H3,(H,27,28)
InChIKeyVZQVZWVOCSRXFU-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.76
Rot. Bonds5

About 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

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 (PubChem CID 137058043) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID137058043
Molecular FormulaC24H25FN8O
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name1-[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
SMILESCCC(O)(C1=NC(N)N(C)C(c2c[nH]c3ncc(-c4cnn(C)c4)nc23)=C1)c1cccc(F)c1
InChIInChI=1S/C24H25FN8O/c1-4-24(34,15-6-5-7-16(25)8-15)20-9-19(33(3)23(26)31-20)17-11-27-22-21(17)30-18(12-28-22)14-10-29-32(2)13-14/h5-13,23,34H,4,26H2,1-3H3,(H,27,28)
InChIKeyVZQVZWVOCSRXFU-UHFFFAOYSA-N
XLogP2.76
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-(3-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]propan-1-ol
CID 67951947
2-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]anilino]acetonitrile
CID 141466979
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
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
(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
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872490
3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
CID 141466978
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125189

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(O)(C1=NC(N)N(C)C(c2c[nH]c3ncc(-c4cnn(C)c4)nc23)=C1)c1cccc(F)c1.
What is the InChIKey of 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?
The InChIKey is VZQVZWVOCSRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-4-24(34,15-6-5-7-16(25)8-15)20-9-19(33(3)23(26)31-20)17-11-27-22-21(17)30-18(12-28-22)14-10-29-32(2)13-14/h5-13,23,34H,4,26H2,1-3H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 460.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137058043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).