N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

C20H28ClFN4S — CID 120857676

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cccc3c2NCC3)cs1.Cl
InChIInChI=1S/C20H27FN4S.ClH/c1-14-23-18(13-26-14)11-25-10-17(21)8-19(25)12-24(2)9-16-5-3-4-15-6-7-22-20(15)16;/h3-5,13,17,19,22H,6-12H2,1-2H3;1H/t17-,19-;/m0./s1
InChIKeySIUUQTYPJHVFGE-QQTWVUFVSA-N
MW410.99 g/mol
LogP3.89
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120857676) has the molecular formula C20H28ClFN4S and a molecular weight of 410.99 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID120857676
Molecular FormulaC20H28ClFN4S
Molecular Weight410.99 g/mol
Exact Mass410.17
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cccc3c2NCC3)cs1.Cl
InChIInChI=1S/C20H27FN4S.ClH/c1-14-23-18(13-26-14)11-25-10-17(21)8-19(25)12-24(2)9-16-5-3-4-15-6-7-22-20(15)16;/h3-5,13,17,19,22H,6-12H2,1-2H3;1H/t17-,19-;/m0./s1
InChIKeySIUUQTYPJHVFGE-QQTWVUFVSA-N
XLogP3.89
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride with MolForge

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Related Compounds

1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128993919
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 128971547
3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 154736953
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128972237
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128971470
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128972455
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
CID 114327187
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
CID 120848989
4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
CID 120853137
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine
CID 120848990
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 128973167

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (CID 120857676) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cccc3c2NCC3)cs1.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is SIUUQTYPJHVFGE-QQTWVUFVSA-N. The full InChI is InChI=1S/C20H27FN4S.ClH/c1-14-23-18(13-26-14)11-25-10-17(21)8-19(25)12-24(2)9-16-5-3-4-15-6-7-22-20(15)16;/h3-5,13,17,19,22H,6-12H2,1-2H3;1H/t17-,19-;/m0./s1.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120857676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).