(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H27N5O — CID 95729625

IUPAC(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1nc(CNC(=O)[C@H]2CC3(CCNCC3)CN2)c2ccccc21
InChIInChI=1S/C19H27N5O/c1-2-24-17-6-4-3-5-14(17)16(23-24)12-21-18(25)15-11-19(13-22-15)7-9-20-10-8-19/h3-6,15,20,22H,2,7-13H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyNQVDBFVIXSFVTE-OAHLLOKOSA-N
MW341.46 g/mol
LogP1.40
Rot. Bonds4

About (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95729625) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95729625
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1nc(CNC(=O)[C@H]2CC3(CCNCC3)CN2)c2ccccc21
InChIInChI=1S/C19H27N5O/c1-2-24-17-6-4-3-5-14(17)16(23-24)12-21-18(25)15-11-19(13-22-15)7-9-20-10-8-19/h3-6,15,20,22H,2,7-13H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyNQVDBFVIXSFVTE-OAHLLOKOSA-N
XLogP1.40
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 133111847
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
(3S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95716256
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole
CID 112563254
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95729625) is (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCn1nc(CNC(=O)[C@H]2CC3(CCNCC3)CN2)c2ccccc21.
What is the InChIKey of (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NQVDBFVIXSFVTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-24-17-6-4-3-5-14(17)16(23-24)12-21-18(25)15-11-19(13-22-15)7-9-20-10-8-19/h3-6,15,20,22H,2,7-13H2,1H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95729625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).