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

C19H23N5O3 — CID 123220019

IUPAC1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(O)C4)ncn3)c2c1
InChIInChI=1S/C19H23N5O3/c1-12(10-26-2)27-14-3-4-16-15(7-14)19(23-22-16)17-8-18(21-11-20-17)24-6-5-13(25)9-24/h3-4,7-8,11-13,25H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyOQQJYZGRSURZAT-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.00
Rot. Bonds6

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

1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 123220019) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID123220019
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(O)C4)ncn3)c2c1
InChIInChI=1S/C19H23N5O3/c1-12(10-26-2)27-14-3-4-16-15(7-14)19(23-22-16)17-8-18(21-11-20-17)24-6-5-13(25)9-24/h3-4,7-8,11-13,25H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyOQQJYZGRSURZAT-UHFFFAOYSA-N
XLogP2.00
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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

(2S,6R)-4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90400140
4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 123187255
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123977170
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 123220019) is 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is COCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(O)C4)ncn3)c2c1.
What is the InChIKey of 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is OQQJYZGRSURZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(10-26-2)27-14-3-4-16-15(7-14)19(23-22-16)17-8-18(21-11-20-17)24-6-5-13(25)9-24/h3-4,7-8,11-13,25H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-[5-(1-methoxypropan-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, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123220019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).