N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide

C23H32N6O3 — CID 59679655

IUPACN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3n[nH]c4ccccc34)C21
InChIInChI=1S/C23H32N6O3/c1-12(2)18(26-21(30)13(3)24)23(32)29-11-10-14-8-9-17(20(14)29)25-22(31)19-15-6-4-5-7-16(15)27-28-19/h4-7,12-14,17-18,20H,8-11,24H2,1-3H3,(H,25,31)(H,26,30)(H,27,28)/t13-,14?,17?,18-,20?/m0/s1
InChIKeyIHXJZVSQTGDQBL-XRPRSZJESA-N
MW440.55 g/mol
LogP1.16
Rot. Bonds6

About N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide

N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide (PubChem CID 59679655) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide
PubChem CID59679655
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3n[nH]c4ccccc34)C21
InChIInChI=1S/C23H32N6O3/c1-12(2)18(26-21(30)13(3)24)23(32)29-11-10-14-8-9-17(20(14)29)25-22(31)19-15-6-4-5-7-16(15)27-28-19/h4-7,12-14,17-18,20H,8-11,24H2,1-3H3,(H,25,31)(H,26,30)(H,27,28)/t13-,14?,17?,18-,20?/m0/s1
InChIKeyIHXJZVSQTGDQBL-XRPRSZJESA-N
XLogP1.16
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide
CID 59679698
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 120814936
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butan-2-yl]propanamide
CID 71047646
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119652161
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
N-(2,2-dimethylcyclopentyl)-1H-indazole-3-carboxamide
CID 79833072
N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119473598
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide (CID 59679655) is N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide is CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3n[nH]c4ccccc34)C21.
What is the InChIKey of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide?
The InChIKey is IHXJZVSQTGDQBL-XRPRSZJESA-N. The full InChI is InChI=1S/C23H32N6O3/c1-12(2)18(26-21(30)13(3)24)23(32)29-11-10-14-8-9-17(20(14)29)25-22(31)19-15-6-4-5-7-16(15)27-28-19/h4-7,12-14,17-18,20H,8-11,24H2,1-3H3,(H,25,31)(H,26,30)(H,27,28)/t13-,14?,17?,18-,20?/m0/s1.
What are the key properties of N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide?
N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 59679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).