3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

C20H23N5O2 — CID 78324278

IUPAC3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCO[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C1
InChIInChI=1S/C20H23N5O2/c1-20(6-7-20)27-13-3-4-16-15(9-13)19(24-23-16)17-10-18(22-12-21-17)25-8-5-14(11-25)26-2/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyGXIOGHZFIJOZPP-CQSZACIVSA-N
MW365.44 g/mol
LogP3.18
Rot. Bonds5

About 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (PubChem CID 78324278) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.

Molecular Properties

Compound Name3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
PubChem CID78324278
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCO[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C1
InChIInChI=1S/C20H23N5O2/c1-20(6-7-20)27-13-3-4-16-15(9-13)19(24-23-16)17-10-18(22-12-21-17)25-8-5-14(11-25)26-2/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyGXIOGHZFIJOZPP-CQSZACIVSA-N
XLogP3.18
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The IUPAC name of 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (CID 78324278) is 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.
What is the SMILES notation for 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The canonical SMILES for 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is CO[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C1.
What is the InChIKey of 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The InChIKey is GXIOGHZFIJOZPP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(6-7-20)27-13-3-4-16-15(9-13)19(24-23-16)17-10-18(22-12-21-17)25-8-5-14(11-25)26-2/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole has a molecular weight of 365.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is sourced from PubChem (CID 78324278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).