3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole

C20H21ClN4O2 — CID 165137657

IUPAC3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
SMILESCC1(Oc2ccc3c(c2)c(-c2cc(Cl)ncn2)nn3C2CCCCO2)CC1
InChIInChI=1S/C20H21ClN4O2/c1-20(7-8-20)27-13-5-6-16-14(10-13)19(15-11-17(21)23-12-22-15)24-25(16)18-4-2-3-9-26-18/h5-6,10-12,18H,2-4,7-9H2,1H3
InChIKeyJEJKKEUFKCIHPF-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.78
Rot. Bonds4

About 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole

3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole (PubChem CID 165137657) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
PubChem CID165137657
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
SMILESCC1(Oc2ccc3c(c2)c(-c2cc(Cl)ncn2)nn3C2CCCCO2)CC1
InChIInChI=1S/C20H21ClN4O2/c1-20(7-8-20)27-13-5-6-16-14(10-13)19(15-11-17(21)23-12-22-15)24-25(16)18-4-2-3-9-26-18/h5-6,10-12,18H,2-4,7-9H2,1H3
InChIKeyJEJKKEUFKCIHPF-UHFFFAOYSA-N
XLogP4.78
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trimethyl-[5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazol-3-yl]stannane
CID 169236547
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
CID 172739208
5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 155482158
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156565616
3-(2-chloropyrimidin-5-yl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 169101649
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156578188
1-[4-chloro-1-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-3-yl]ethanol
CID 166099387
6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236415
2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398023
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole (CID 165137657) is 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole is CC1(Oc2ccc3c(c2)c(-c2cc(Cl)ncn2)nn3C2CCCCO2)CC1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The InChIKey is JEJKKEUFKCIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-20(7-8-20)27-13-5-6-16-14(10-13)19(15-11-17(21)23-12-22-15)24-25(16)18-4-2-3-9-26-18/h5-6,10-12,18H,2-4,7-9H2,1H3.
What are the key properties of 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole has a molecular weight of 384.87 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole is sourced from PubChem (CID 165137657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).