N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide

C26H28ClN5O2S — CID 146302900

IUPACN-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2nc(C(=O)N3CCN(CC4CC4)CC3)c3c2-c2ccsc2CC3)c(Cl)c1
InChIInChI=1S/C26H28ClN5O2S/c1-16(33)28-18-4-6-22(21(27)14-18)32-25-19-8-13-35-23(19)7-5-20(25)24(29-32)26(34)31-11-9-30(10-12-31)15-17-2-3-17/h4,6,8,13-14,17H,2-3,5,7,9-12,15H2,1H3,(H,28,33)
InChIKeyHETJZKHLAPNCCR-UHFFFAOYSA-N
MW510.06 g/mol
LogP4.48
Rot. Bonds5

About N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide

N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide (PubChem CID 146302900) has the molecular formula C26H28ClN5O2S and a molecular weight of 510.06 g/mol. Its IUPAC name is N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide
PubChem CID146302900
Molecular FormulaC26H28ClN5O2S
Molecular Weight510.06 g/mol
Exact Mass509.17
IUPAC NameN-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2nc(C(=O)N3CCN(CC4CC4)CC3)c3c2-c2ccsc2CC3)c(Cl)c1
InChIInChI=1S/C26H28ClN5O2S/c1-16(33)28-18-4-6-22(21(27)14-18)32-25-19-8-13-35-23(19)7-5-20(25)24(29-32)26(34)31-11-9-30(10-12-31)15-17-2-3-17/h4,6,8,13-14,17H,2-3,5,7,9-12,15H2,1H3,(H,28,33)
InChIKeyHETJZKHLAPNCCR-UHFFFAOYSA-N
XLogP4.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.06
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,6-dichlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146302982
N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948585
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
CID 47070444
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
[4-[(3R)-3-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]piperidin-1-yl]cyclohexyl] acetate
CID 67220636
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 6461156
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide (CID 146302900) is N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2nc(C(=O)N3CCN(CC4CC4)CC3)c3c2-c2ccsc2CC3)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide?
The InChIKey is HETJZKHLAPNCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2S/c1-16(33)28-18-4-6-22(21(27)14-18)32-25-19-8-13-35-23(19)7-5-20(25)24(29-32)26(34)31-11-9-30(10-12-31)15-17-2-3-17/h4,6,8,13-14,17H,2-3,5,7,9-12,15H2,1H3,(H,28,33).
What are the key properties of N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide?
N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide has a molecular weight of 510.06 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 146302900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).