[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

C22H29N5O3 — CID 91911299

IUPAC[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESCN1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C22H29N5O3/c1-25-15-22(14-18(25)20(28)27-10-12-30-13-11-27)6-8-26(9-7-22)21(29)19-16-4-2-3-5-17(16)23-24-19/h2-5,18H,6-15H2,1H3,(H,23,24)
InChIKeyBKDIKVPQIMRVDV-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.35
Rot. Bonds2

About [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (PubChem CID 91911299) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
PubChem CID91911299
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESCN1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C22H29N5O3/c1-25-15-22(14-18(25)20(28)27-10-12-30-13-11-27)6-8-26(9-7-22)21(29)19-16-4-2-3-5-17(16)23-24-19/h2-5,18H,6-15H2,1H3,(H,23,24)
InChIKeyBKDIKVPQIMRVDV-UHFFFAOYSA-N
XLogP1.35
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Facinicline
CID 9970357
Unii-0ZN0AQ6sbv
CID 11225102
5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 21252891
Facinicline hydrochloride
CID 10380472
N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 2595305
1H-indazol-3-yl(morpholin-4-yl)methanone
CID 1505879
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
5-(2-fluorophenyl)-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714649
[4-({[(5-ethyl-1H-indazol-3-yl)carbonyl]amino}methyl)piperidin-1-yl]acetic acid
CID 71714670
1H-Indazole-3-carboxylic acid [4-(piperidine-1-carbonyl)-phenyl]-amide
CID 86760649

Frequently Asked Questions

What is the IUPAC name of [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (CID 91911299) is [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is CN1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)CC1C(=O)N1CCOCC1.
What is the InChIKey of [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BKDIKVPQIMRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-25-15-22(14-18(25)20(28)27-10-12-30-13-11-27)6-8-26(9-7-22)21(29)19-16-4-2-3-5-17(16)23-24-19/h2-5,18H,6-15H2,1H3,(H,23,24).
What are the key properties of [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
[8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 411.51 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1H-indazole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91911299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).