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

C21H25N5O — CID 165136680

IUPAC5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole
SMILESCN1CCC(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1
InChIInChI=1S/C21H25N5O/c1-21(7-8-21)27-15-3-4-17-16(11-15)20(25-24-17)19-12-18(22-13-23-19)14-5-9-26(2)10-6-14/h3-4,11-14H,5-10H2,1-2H3,(H,24,25)
InChIKeyUDSKJVBEANCPAW-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.76
Rot. Bonds4

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

5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole (PubChem CID 165136680) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole
PubChem CID165136680
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole
SMILESCN1CCC(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1
InChIInChI=1S/C21H25N5O/c1-21(7-8-21)27-15-3-4-17-16(11-15)20(25-24-17)19-12-18(22-13-23-19)14-5-9-26(2)10-6-14/h3-4,11-14H,5-10H2,1-2H3,(H,24,25)
InChIKeyUDSKJVBEANCPAW-UHFFFAOYSA-N
XLogP3.76
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole (CID 165136680) is 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole is CN1CCC(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole?
The InChIKey is UDSKJVBEANCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(7-8-21)27-15-3-4-17-16(11-15)20(25-24-17)19-12-18(22-13-23-19)14-5-9-26(2)10-6-14/h3-4,11-14H,5-10H2,1-2H3,(H,24,25).
What are the key properties of 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole?
5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole has a molecular weight of 363.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 165136680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).