2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H25FN6O2 — CID 145060367

IUPAC2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(F)Cn1cc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(-c2ccccn2)n1
InChIInChI=1S/C24H25FN6O2/c1-16(25)14-31-15-20(23(30-31)19-6-4-5-10-26-19)33-18-9-11-27-22(12-18)29-17-7-8-21(28-13-17)24(2,3)32/h4-13,15-16,32H,14H2,1-3H3,(H,27,29)
InChIKeyWKXKYDKIPNJIGI-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.86
Rot. Bonds8

About 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 145060367) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID145060367
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(F)Cn1cc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(-c2ccccn2)n1
InChIInChI=1S/C24H25FN6O2/c1-16(25)14-31-15-20(23(30-31)19-6-4-5-10-26-19)33-18-9-11-27-22(12-18)29-17-7-8-21(28-13-17)24(2,3)32/h4-13,15-16,32H,14H2,1-3H3,(H,27,29)
InChIKeyWKXKYDKIPNJIGI-UHFFFAOYSA-N
XLogP4.86
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

Ly-3200882
CID 121249291
Ly-2880070
CID 56968075
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869143
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869315
US10772893, Example 40
CID 118869375
US10772893, Example 67
CID 118869603
US10772893, Example 51
CID 118890650
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
CID 147109426
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
CID 147473320

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 145060367) is 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(F)Cn1cc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(-c2ccccn2)n1.
What is the InChIKey of 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is WKXKYDKIPNJIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-16(25)14-31-15-20(23(30-31)19-6-4-5-10-26-19)33-18-9-11-27-22(12-18)29-17-7-8-21(28-13-17)24(2,3)32/h4-13,15-16,32H,14H2,1-3H3,(H,27,29).
What are the key properties of 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 448.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[1-(2-fluoropropyl)-3-pyridin-2-ylpyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 145060367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).