4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C19H23N5O3 — CID 123977170

IUPAC4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1O
InChIInChI=1S/C19H23N5O3/c1-11(2)27-12-4-5-14-13(6-12)19(23-22-14)15-7-18(21-10-20-15)24-8-16(25)17(9-24)26-3/h4-7,10-11,16-17,25H,8-9H2,1-3H3,(H,22,23)
InChIKeyFLUMBXITSVWBKA-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.00
Rot. Bonds5

About 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 123977170) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID123977170
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1O
InChIInChI=1S/C19H23N5O3/c1-11(2)27-12-4-5-14-13(6-12)19(23-22-14)15-7-18(21-10-20-15)24-8-16(25)17(9-24)26-3/h4-7,10-11,16-17,25H,8-9H2,1-3H3,(H,22,23)
InChIKeyFLUMBXITSVWBKA-UHFFFAOYSA-N
XLogP2.00
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 123220019
(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 130372041
(2S,6R)-4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90400140
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
tert-butyl (3S)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-1-carboxylate
CID 162470087
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 90400858

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 123977170) is 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is COC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1O.
What is the InChIKey of 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is FLUMBXITSVWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(2)27-12-4-5-14-13(6-12)19(23-22-14)15-7-18(21-10-20-15)24-8-16(25)17(9-24)26-3/h4-7,10-11,16-17,25H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 369.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123977170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).