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5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol

C22H24FN7O2 — CID 170011125

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol
SMILESCOc1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ncc(N3C[C@@H](C)N[C@H](C)C3)cc12
InChIInChI=1S/C22H24FN7O2/c1-11-8-30(9-12(2)25-11)14-6-16-20(24-7-14)26-21(27-22(16)32-4)15-5-13-10-29(3)28-18(13)17(23)19(15)31/h5-7,10-12,25,31H,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyPTMRQYFGAZYZSN-VXGBXAGGSA-N
MW437.48 g/mol
LogP2.62
Rot. Bonds3

About 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol

5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol (PubChem CID 170011125) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol
PubChem CID170011125
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol
SMILESCOc1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ncc(N3C[C@@H](C)N[C@H](C)C3)cc12
InChIInChI=1S/C22H24FN7O2/c1-11-8-30(9-12(2)25-11)14-6-16-20(24-7-14)26-21(27-22(16)32-4)15-5-13-10-29(3)28-18(13)17(23)19(15)31/h5-7,10-12,25,31H,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyPTMRQYFGAZYZSN-VXGBXAGGSA-N
XLogP2.62
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The IUPAC name of 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol (CID 170011125) is 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The canonical SMILES for 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol is COc1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ncc(N3C[C@@H](C)N[C@H](C)C3)cc12.
What is the InChIKey of 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The InChIKey is PTMRQYFGAZYZSN-VXGBXAGGSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-11-8-30(9-12(2)25-11)14-6-16-20(24-7-14)26-21(27-22(16)32-4)15-5-13-10-29(3)28-18(13)17(23)19(15)31/h5-7,10-12,25,31H,8-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol?
5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol has a molecular weight of 437.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol is sourced from PubChem (CID 170011125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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