[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone

C23H30N4O2S — CID 146303008

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone
SMILESO=C(c1nn(C2CCOCC2)c2c1CCc1sccc1-2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C23H30N4O2S/c28-23(26-10-8-25(9-11-26)15-16-1-2-16)21-19-3-4-20-18(7-14-30-20)22(19)27(24-21)17-5-12-29-13-6-17/h7,14,16-17H,1-6,8-13,15H2
InChIKeyNQHNGQOHFNBXOP-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.23
Rot. Bonds4

About [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone (PubChem CID 146303008) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone
PubChem CID146303008
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone
SMILESO=C(c1nn(C2CCOCC2)c2c1CCc1sccc1-2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C23H30N4O2S/c28-23(26-10-8-25(9-11-26)15-16-1-2-16)21-19-3-4-20-18(7-14-30-20)22(19)27(24-21)17-5-12-29-13-6-17/h7,14,16-17H,1-6,8-13,15H2
InChIKeyNQHNGQOHFNBXOP-UHFFFAOYSA-N
XLogP3.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide
CID 146302900
morpholin-4-yl-[3-(oxan-4-yl)-8,8-dioxo-8λ6,10-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraen-5-yl]methanone
CID 66580777
[1-(2,2-dimethylcyclohexyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146303034
[1-(2,6-dichlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146302982
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 146302965
[1-[4-(hydroxymethyl)cyclohexyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66580986
3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzonitrile
CID 146302890
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
[1-[1-(2-methoxyethyl)piperidin-4-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66580707
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone (CID 146303008) is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone is O=C(c1nn(C2CCOCC2)c2c1CCc1sccc1-2)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone?
The InChIKey is NQHNGQOHFNBXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c28-23(26-10-8-25(9-11-26)15-16-1-2-16)21-19-3-4-20-18(7-14-30-20)22(19)27(24-21)17-5-12-29-13-6-17/h7,14,16-17H,1-6,8-13,15H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone has a molecular weight of 426.59 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]methanone is sourced from PubChem (CID 146303008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).