N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

C18H18N8O2 — CID 70787973

IUPACN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1nn(C)c2cccc(Oc3cccnc3)c12
InChIInChI=1S/C18H18N8O2/c1-12-21-23-24-26(12)10-8-16(27)20-18-17-14(25(2)22-18)6-3-7-15(17)28-13-5-4-9-19-11-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22,27)
InChIKeyJXYILKXVZUUBHF-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.08
Rot. Bonds6

About N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 70787973) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID70787973
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1nn(C)c2cccc(Oc3cccnc3)c12
InChIInChI=1S/C18H18N8O2/c1-12-21-23-24-26(12)10-8-16(27)20-18-17-14(25(2)22-18)6-3-7-15(17)28-13-5-4-9-19-11-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22,27)
InChIKeyJXYILKXVZUUBHF-UHFFFAOYSA-N
XLogP2.08
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (CID 70787973) is N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)Nc1nn(C)c2cccc(Oc3cccnc3)c12.
What is the InChIKey of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is JXYILKXVZUUBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-12-21-23-24-26(12)10-8-16(27)20-18-17-14(25(2)22-18)6-3-7-15(17)28-13-5-4-9-19-11-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22,27).
What are the key properties of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 378.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 70787973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).