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

C21H23Cl2N5O2S — CID 68978823

IUPACN-[(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
SMILESCl.O=C(N[C@@H]1CCCC1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN5O2S.ClH/c22-12-4-5-13-11(8-12)9-17(24-13)19(28)25-14-2-1-3-15(14)26-20(29)21-27-16-6-7-23-10-18(16)30-21;/h4-5,8-9,14-15,23-24H,1-3,6-7,10H2,(H,25,28)(H,26,29);1H/t14-,15?;/m1./s1
InChIKeyQSKMBNJTSNGRKJ-FUISWZMFSA-N
MW480.42 g/mol
LogP3.43
Rot. Bonds4

About 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

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 (PubChem CID 68978823) has the molecular formula C21H23Cl2N5O2S and a molecular weight of 480.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID68978823
Molecular FormulaC21H23Cl2N5O2S
Molecular Weight480.42 g/mol
Exact Mass479.09
IUPAC NameN-[(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
SMILESCl.O=C(N[C@@H]1CCCC1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN5O2S.ClH/c22-12-4-5-13-11(8-12)9-17(24-13)19(28)25-14-2-1-3-15(14)26-20(29)21-27-16-6-7-23-10-18(16)30-21;/h4-5,8-9,14-15,23-24H,1-3,6-7,10H2,(H,25,28)(H,26,29);1H/t14-,15?;/m1./s1
InChIKeyQSKMBNJTSNGRKJ-FUISWZMFSA-N
XLogP3.43
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cl.O=C(N[C@@H]1CCCC1NC(=O)c1nc2c(s1)CNCC2)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is QSKMBNJTSNGRKJ-FUISWZMFSA-N. The full InChI is InChI=1S/C21H22ClN5O2S.ClH/c22-12-4-5-13-11(8-12)9-17(24-13)19(28)25-14-2-1-3-15(14)26-20(29)21-27-16-6-7-23-10-18(16)30-21;/h4-5,8-9,14-15,23-24H,1-3,6-7,10H2,(H,25,28)(H,26,29);1H/t14-,15?;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 480.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68978823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).