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

C24H23N7O2 — CID 53253028

IUPAC1-[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
SMILESCCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(OC)n1
InChIInChI=1S/C24H23N7O2/c1-4-24(32,17-5-7-25-8-6-17)21-10-20(29-23(30-21)33-3)19-13-27-22-18(19)9-15(11-26-22)16-12-28-31(2)14-16/h5-14,32H,4H2,1-3H3,(H,26,27)
InChIKeyGOBVMZSMROBKHC-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.47
Rot. Bonds6

About 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

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 (PubChem CID 53253028) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID53253028
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-[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
SMILESCCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(OC)n1
InChIInChI=1S/C24H23N7O2/c1-4-24(32,17-5-7-25-8-6-17)21-10-20(29-23(30-21)33-3)19-13-27-22-18(19)9-15(11-26-22)16-12-28-31(2)14-16/h5-14,32H,4H2,1-3H3,(H,26,27)
InChIKeyGOBVMZSMROBKHC-UHFFFAOYSA-N
XLogP3.47
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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-amino-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-4-ylethanol
CID 53252670
(2S)-3-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-4-methoxyanilino)propane-1,2-diol
CID 57335270
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-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
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
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
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
(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 135981844
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
CID 57335986

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(O)(c1ccncc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(OC)n1.
What is the InChIKey of 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?
The InChIKey is GOBVMZSMROBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-4-24(32,17-5-7-25-8-6-17)21-10-20(29-23(30-21)33-3)19-13-27-22-18(19)9-15(11-26-22)16-12-28-31(2)14-16/h5-14,32H,4H2,1-3H3,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 441.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 53253028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).