1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol

C24H23FN8O — CID 53252936

IUPAC1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol
SMILESCCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(CCF)c4)cc23)nc(N)n1
InChIInChI=1S/C24H23FN8O/c1-2-24(34,17-3-6-27-7-4-17)21-10-20(31-23(26)32-21)19-13-29-22-18(19)9-15(11-28-22)16-12-30-33(14-16)8-5-25/h3-4,6-7,9-14,34H,2,5,8H2,1H3,(H,28,29)(H2,26,31,32)
InChIKeyCAWCSBUXLNNHQY-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol

1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol (PubChem CID 53252936) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol
PubChem CID53252936
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol
SMILESCCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(CCF)c4)cc23)nc(N)n1
InChIInChI=1S/C24H23FN8O/c1-2-24(34,17-3-6-27-7-4-17)21-10-20(31-23(26)32-21)19-13-29-22-18(19)9-15(11-28-22)16-12-30-33(14-16)8-5-25/h3-4,6-7,9-14,34H,2,5,8H2,1H3,(H,28,29)(H2,26,31,32)
InChIKeyCAWCSBUXLNNHQY-UHFFFAOYSA-N
XLogP3.48
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol (CID 53252936) is 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol is CCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(CCF)c4)cc23)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol?
The InChIKey is CAWCSBUXLNNHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-2-24(34,17-3-6-27-7-4-17)21-10-20(31-23(26)32-21)19-13-29-22-18(19)9-15(11-28-22)16-12-30-33(14-16)8-5-25/h3-4,6-7,9-14,34H,2,5,8H2,1H3,(H,28,29)(H2,26,31,32).
What are the key properties of 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol?
1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol has a molecular weight of 458.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 53252936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).