oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone

C18H26N4O3 — CID 134701735

IUPACoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H26N4O3/c23-17(15-7-3-12-25-15)21-8-4-9-22(11-10-21)18(24)16-13-5-1-2-6-14(13)19-20-16/h15H,1-12H2,(H,19,20)
InChIKeyMYZKADUZRCLPIP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.14
Rot. Bonds2

About oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone

oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 134701735) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID134701735
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H26N4O3/c23-17(15-7-3-12-25-15)21-8-4-9-22(11-10-21)18(24)16-13-5-1-2-6-14(13)19-20-16/h15H,1-12H2,(H,19,20)
InChIKeyMYZKADUZRCLPIP-UHFFFAOYSA-N
XLogP1.14
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
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(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
1-cyclopropyl-4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-2-one
CID 71979865
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 99789755
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone (CID 134701735) is oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone is O=C(c1n[nH]c2c1CCCC2)N1CCCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MYZKADUZRCLPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(15-7-3-12-25-15)21-8-4-9-22(11-10-21)18(24)16-13-5-1-2-6-14(13)19-20-16/h15H,1-12H2,(H,19,20).
What are the key properties of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134701735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).