N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H23ClN6O2S — CID 59677026

IUPACN-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CNC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C21H23ClN6O2S/c1-28-5-4-14-18(10-28)31-21(27-14)20(30)26-17-9-23-8-16(17)25-19(29)15-7-11-6-12(22)2-3-13(11)24-15/h2-3,6-7,16-17,23-24H,4-5,8-10H2,1H3,(H,25,29)(H,26,30)/t16-,17-/m1/s1
InChIKeySWKDSZDFLGTJPX-IAGOWNOFSA-N
MW458.98 g/mol
LogP1.77
Rot. Bonds4

About N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 59677026) has the molecular formula C21H23ClN6O2S and a molecular weight of 458.98 g/mol. Its IUPAC name is N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID59677026
Molecular FormulaC21H23ClN6O2S
Molecular Weight458.98 g/mol
Exact Mass458.13
IUPAC NameN-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CNC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C21H23ClN6O2S/c1-28-5-4-14-18(10-28)31-21(27-14)20(30)26-17-9-23-8-16(17)25-19(29)15-7-11-6-12(22)2-3-13(11)24-15/h2-3,6-7,16-17,23-24H,4-5,8-10H2,1H3,(H,25,29)(H,26,30)/t16-,17-/m1/s1
InChIKeySWKDSZDFLGTJPX-IAGOWNOFSA-N
XLogP1.77
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.98
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59284703
N-[(1S,2R,4R,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4,5-dihydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786617
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]oxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677067
3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 68909554
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59676906
N-[5-amino-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68548371
[(1S)-2-acetyloxy-5-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl] acetate
CID 70376079
N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677079
N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 70376085
N-[(5R,6S)-6-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822225

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 59677026) is N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3CNC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is SWKDSZDFLGTJPX-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H23ClN6O2S/c1-28-5-4-14-18(10-28)31-21(27-14)20(30)26-17-9-23-8-16(17)25-19(29)15-7-11-6-12(22)2-3-13(11)24-15/h2-3,6-7,16-17,23-24H,4-5,8-10H2,1H3,(H,25,29)(H,26,30)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 458.98 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 59677026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).