1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol

C24H22FN7O — CID 53252981

IUPAC1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)c(F)c23)nc(N)n1
InChIInChI=1S/C24H22FN7O/c1-3-24(33,15-7-5-4-6-8-15)19-9-18(30-23(26)31-19)17-12-28-22-20(17)21(25)16(11-27-22)14-10-29-32(2)13-14/h4-13,33H,3H2,1-2H3,(H,27,28)(H2,26,30,31)
InChIKeyKGTYBFBDOBWKDB-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.79
Rot. Bonds5

About 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol

1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol (PubChem CID 53252981) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol
PubChem CID53252981
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)c(F)c23)nc(N)n1
InChIInChI=1S/C24H22FN7O/c1-3-24(33,15-7-5-4-6-8-15)19-9-18(30-23(26)31-19)17-12-28-22-20(17)21(25)16(11-27-22)14-10-29-32(2)13-14/h4-13,33H,3H2,1-2H3,(H,27,28)(H2,26,30,31)
InChIKeyKGTYBFBDOBWKDB-UHFFFAOYSA-N
XLogP3.79
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol?
The IUPAC name of 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol (CID 53252981) is 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)c(F)c23)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol?
The InChIKey is KGTYBFBDOBWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-3-24(33,15-7-5-4-6-8-15)19-9-18(30-23(26)31-19)17-12-28-22-20(17)21(25)16(11-27-22)14-10-29-32(2)13-14/h4-13,33H,3H2,1-2H3,(H,27,28)(H2,26,30,31).
What are the key properties of 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol?
1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol has a molecular weight of 443.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-[4-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 53252981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).