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

C25H30ClN5O3S — CID 70376082

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

N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70376082) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 70376082
• Molecular Formula: C25H30ClN5O3S
• Molecular Weight: 516.07 g/mol
• Exact Mass: 515.18
• IUPAC Name: N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CC(C)N1CCc2nc(C(=O)N[C@@H]3CC(CO)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C25H30ClN5O3S/c1-13(2)31-6-5-18-22(11-31)35-25(30-18)24(34)29-20-8-14(12-32)7-19(20)28-23(33)21-10-15-9-16(26)3-4-17(15)27-21/h3-4,9-10,13-14,19-20,27,32H,5-8,11-12H2,1-2H3,(H,28,33)(H,29,34)/t14?,19?,20-/m1/s1
• InChIKey: XAPPFWMYNMOTKT-OJISFJIHSA-N
• XLogP: 3.34
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.07
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70376082) is N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(C)N1CCc2nc(C(=O)N[C@@H]3CC(CO)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.

What is the InChIKey of N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is XAPPFWMYNMOTKT-OJISFJIHSA-N. The full InChI is InChI=1S/C25H30ClN5O3S/c1-13(2)31-6-5-18-22(11-31)35-25(30-18)24(34)29-20-8-14(12-32)7-19(20)28-23(33)21-10-15-9-16(26)3-4-17(15)27-21/h3-4,9-10,13-14,19-20,27,32H,5-8,11-12H2,1-2H3,(H,28,33)(H,29,34)/t14?,19?,20-/m1/s1.

What are the key properties of N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 516.07 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70376082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).