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

C21H23ClN6O2S — CID 142914855

IUPACN-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESO=C(NC1CCNC[C@H]1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H23ClN6O2S/c22-12-1-2-13-11(7-12)8-16(25-13)19(29)26-14-3-5-23-9-17(14)27-20(30)21-28-15-4-6-24-10-18(15)31-21/h1-2,7-8,14,17,23-25H,3-6,9-10H2,(H,26,29)(H,27,30)/t14?,17-/m1/s1
InChIKeyOMKRGADXLCPZSK-FBMWCMRBSA-N
MW458.98 g/mol
LogP1.81
Rot. Bonds4

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

N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142914855) has the molecular formula C21H23ClN6O2S and a molecular weight of 458.98 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID142914855
Molecular FormulaC21H23ClN6O2S
Molecular Weight458.98 g/mol
Exact Mass458.13
IUPAC NameN-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESO=C(NC1CCNC[C@H]1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H23ClN6O2S/c22-12-1-2-13-11(7-12)8-16(25-13)19(29)26-14-3-5-23-9-17(14)27-20(30)21-28-15-4-6-24-10-18(15)31-21/h1-2,7-8,14,17,23-25H,3-6,9-10H2,(H,26,29)(H,27,30)/t14?,17-/m1/s1
InChIKeyOMKRGADXLCPZSK-FBMWCMRBSA-N
XLogP1.81
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.98
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68978823
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclobutyl]-6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 59676917
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
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,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-[(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
5-acetyl-N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822110
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 58822246
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
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68907648
N-[5-acetamido-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 68545323
[4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]carbamic acid
CID 68589941

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142914855) is N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is O=C(NC1CCNC[C@H]1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is OMKRGADXLCPZSK-FBMWCMRBSA-N. The full InChI is InChI=1S/C21H23ClN6O2S/c22-12-1-2-13-11(7-12)8-16(25-13)19(29)26-14-3-5-23-9-17(14)27-20(30)21-28-15-4-6-24-10-18(15)31-21/h1-2,7-8,14,17,23-25H,3-6,9-10H2,(H,26,29)(H,27,30)/t14?,17-/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 458.98 g/mol, XLogP of 1.81, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142914855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).