N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide

C20H22N6O — CID 126917005

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CN(c3ccc(C4CC4)nn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O/c1-25-17-5-3-2-4-15(17)19(24-25)20(27)21-10-13-11-26(12-13)18-9-8-16(22-23-18)14-6-7-14/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,27)
InChIKeyDKNORYUJXXTTPO-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 126917005) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
PubChem CID126917005
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CN(c3ccc(C4CC4)nn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O/c1-25-17-5-3-2-4-15(17)19(24-25)20(27)21-10-13-11-26(12-13)18-9-8-16(22-23-18)14-6-7-14/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,27)
InChIKeyDKNORYUJXXTTPO-UHFFFAOYSA-N
XLogP2.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
CID 126916675
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126916973
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide (CID 126917005) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCC2CN(c3ccc(C4CC4)nn3)C2)c2ccccc21.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide?
The InChIKey is DKNORYUJXXTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-25-17-5-3-2-4-15(17)19(24-25)20(27)21-10-13-11-26(12-13)18-9-8-16(22-23-18)14-6-7-14/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,27).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 126917005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).