N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C18H22ClN5O3 — CID 122571121

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCn1nc(CNC(=O)N2CCCC3(CC2)CNC(=O)O3)c2c(Cl)cccc21
InChIInChI=1S/C18H22ClN5O3/c1-23-14-5-2-4-12(19)15(14)13(22-23)10-20-16(25)24-8-3-6-18(7-9-24)11-21-17(26)27-18/h2,4-5H,3,6-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyPIXRCCWIMULABZ-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.40
Rot. Bonds2

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 122571121) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID122571121
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCn1nc(CNC(=O)N2CCCC3(CC2)CNC(=O)O3)c2c(Cl)cccc21
InChIInChI=1S/C18H22ClN5O3/c1-23-14-5-2-4-12(19)15(14)13(22-23)10-20-16(25)24-8-3-6-18(7-9-24)11-21-17(26)27-18/h2,4-5H,3,6-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyPIXRCCWIMULABZ-UHFFFAOYSA-N
XLogP2.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126426435
(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126444714
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807
(5R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126436607
(5S)-2-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 97284872
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 126434222
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138
(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126427632
2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 121497154
[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 131906491

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 122571121) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is Cn1nc(CNC(=O)N2CCCC3(CC2)CNC(=O)O3)c2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is PIXRCCWIMULABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-23-14-5-2-4-12(19)15(14)13(22-23)10-20-16(25)24-8-3-6-18(7-9-24)11-21-17(26)27-18/h2,4-5H,3,6-11H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 122571121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).