N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H19N7OS — CID 46213030

IUPACN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c(NC(=O)N2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)s1
InChIInChI=1S/C21H19N7OS/c1-12-20(30-13(2)25-12)27-21(29)28-9-16-18(10-28)23-11-24-19(16)26-15-7-14-5-3-4-6-17(14)22-8-15/h3-8,11H,9-10H2,1-2H3,(H,27,29)(H,23,24,26)
InChIKeyFKRXKUGKGYCEGN-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.39
Rot. Bonds3

About N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 46213030) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID46213030
Molecular FormulaC21H19N7OS
Molecular Weight417.50 g/mol
Exact Mass417.14
IUPAC NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c(NC(=O)N2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)s1
InChIInChI=1S/C21H19N7OS/c1-12-20(30-13(2)25-12)27-21(29)28-9-16-18(10-28)23-11-24-19(16)26-15-7-14-5-3-4-6-17(14)22-8-15/h3-8,11H,9-10H2,1-2H3,(H,27,29)(H,23,24,26)
InChIKeyFKRXKUGKGYCEGN-UHFFFAOYSA-N
XLogP4.39
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 46213030) is N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc(C)c(NC(=O)N2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)s1.
What is the InChIKey of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is FKRXKUGKGYCEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-12-20(30-13(2)25-12)27-21(29)28-9-16-18(10-28)23-11-24-19(16)26-15-7-14-5-3-4-6-17(14)22-8-15/h3-8,11H,9-10H2,1-2H3,(H,27,29)(H,23,24,26).
What are the key properties of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 417.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46213030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).