1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride

C25H26ClN5O4 — CID 18438726

IUPAC1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)CNCC3CC3)cc1-2
InChIInChI=1S/C25H25N5O4.ClH/c26-25(32)23-18-7-4-15-3-5-16(28-22(31)12-27-11-14-1-2-14)9-19(15)24(18)30(29-23)17-6-8-20-21(10-17)34-13-33-20;/h3,5-6,8-10,14,27H,1-2,4,7,11-13H2,(H2,26,32)(H,28,31);1H
InChIKeyQCTLBHISFOEOFQ-UHFFFAOYSA-N
MW495.97 g/mol
LogP2.83
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride

1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride (PubChem CID 18438726) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
PubChem CID18438726
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)CNCC3CC3)cc1-2
InChIInChI=1S/C25H25N5O4.ClH/c26-25(32)23-18-7-4-15-3-5-16(28-22(31)12-27-11-14-1-2-14)9-19(15)24(18)30(29-23)17-6-8-20-21(10-17)34-13-33-20;/h3,5-6,8-10,14,27H,1-2,4,7,11-13H2,(H2,26,32)(H,28,31);1H
InChIKeyQCTLBHISFOEOFQ-UHFFFAOYSA-N
XLogP2.83
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzo[d][1,3]dioxol-5-yl)-8-(2-chloronicotinamido)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10117126
1-(1,3-Benzodioxol-5-yl)-8-({[3-chloro-6-(methylamino)pyridin-2-yl]carbonyl}amino)-4,5-dihydro-1h-benzo[g]indazole-3-carboxamide
CID 10346473
5-Acetyl-1-(1,3-benzodioxol-5-yl)-8-[(methylsulfonyl)amino]-4,5-dihydro-1h-pyrazolo[4,3-c]quinoline-3-carboxamide
CID 21092634
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide
CID 44241309
8-[[2-(Aminomethyl)-5-chloropyridine-4-carbonyl]amino]-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 9806599
1-(1,3-Benzodioxol-5-yl)-8-[(3-chloro-6-cyanopyridine-2-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10075148
1-(1,3-Benzodioxol-5-yl)-8-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10117899
5-Acetyl-8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydro-1h-pyrazolo[4,3-c]quinoline-3-carboxamide acetate
CID 10138855
8-Amino-1-[1,3-benzodioxol-5-yl]-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 10154873
1-(1,3-Benzodioxol-5-yl)-8-[(2,5-dichloropyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10165028
1-(1,3-Benzodioxol-5-yl)-8-[(2-chloro-4-fluorobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10185610
1-(1,3-Benzodioxol-5-yl)-8-[(2-chloro-4,5-difluorobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10186442

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride (CID 18438726) is 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride is Cl.NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)CNCC3CC3)cc1-2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The InChIKey is QCTLBHISFOEOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.ClH/c26-25(32)23-18-7-4-15-3-5-16(28-22(31)12-27-11-14-1-2-14)9-19(15)24(18)30(29-23)17-6-8-20-21(10-17)34-13-33-20;/h3,5-6,8-10,14,27H,1-2,4,7,11-13H2,(H2,26,32)(H,28,31);1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride has a molecular weight of 495.97 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-8-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 18438726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).