3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide

C25H27N7O3S — CID 67186578

IUPAC3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4cc(C(=O)Nc5ccn[nH]5)ccc34)sc2C(=O)N1
InChIInChI=1S/C25H27N7O3S/c1-25(2)11-19-21(23(34)30-25)36-24(28-19)32-7-8-35-13-16(32)9-15-12-26-18-10-14(3-4-17(15)18)22(33)29-20-5-6-27-31-20/h3-6,10,12,16,26H,7-9,11,13H2,1-2H3,(H,30,34)(H2,27,29,31,33)/t16-/m0/s1
InChIKeyWEQCQZAPRXTOHO-INIZCTEOSA-N
MW505.60 g/mol
LogP3.11
Rot. Bonds5

About 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide

3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide (PubChem CID 67186578) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
PubChem CID67186578
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4cc(C(=O)Nc5ccn[nH]5)ccc34)sc2C(=O)N1
InChIInChI=1S/C25H27N7O3S/c1-25(2)11-19-21(23(34)30-25)36-24(28-19)32-7-8-35-13-16(32)9-15-12-26-18-10-14(3-4-17(15)18)22(33)29-20-5-6-27-31-20/h3-6,10,12,16,26H,7-9,11,13H2,1-2H3,(H,30,34)(H2,27,29,31,33)/t16-/m0/s1
InChIKeyWEQCQZAPRXTOHO-INIZCTEOSA-N
XLogP3.11
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide (CID 67186578) is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The canonical SMILES for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide is CC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4cc(C(=O)Nc5ccn[nH]5)ccc34)sc2C(=O)N1.
What is the InChIKey of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The InChIKey is WEQCQZAPRXTOHO-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-25(2)11-19-21(23(34)30-25)36-24(28-19)32-7-8-35-13-16(32)9-15-12-26-18-10-14(3-4-17(15)18)22(33)29-20-5-6-27-31-20/h3-6,10,12,16,26H,7-9,11,13H2,1-2H3,(H,30,34)(H2,27,29,31,33)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 67186578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).