N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine

C21H26N8S — CID 157097057

IUPACN-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Cc2nc(NC3CCN(C)CC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C21H26N8S/c1-14-10-17(30-26-14)11-19-24-18-6-9-29(16-12-22-28(3)13-16)20(18)21(25-19)23-15-4-7-27(2)8-5-15/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,24,25)
InChIKeyFYVIERRLZKODLM-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.02
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine

N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157097057) has the molecular formula C21H26N8S and a molecular weight of 422.56 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID157097057
Molecular FormulaC21H26N8S
Molecular Weight422.56 g/mol
Exact Mass422.20
IUPAC NameN-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Cc2nc(NC3CCN(C)CC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C21H26N8S/c1-14-10-17(30-26-14)11-19-24-18-6-9-29(16-12-22-28(3)13-16)20(18)21(25-19)23-15-4-7-27(2)8-5-15/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,24,25)
InChIKeyFYVIERRLZKODLM-UHFFFAOYSA-N
XLogP3.02
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]oxythiane 1,1-dioxide
CID 157358482
4-N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129265
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129117
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 158201684
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129156
5-(3-methoxypropyl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 158464810
4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-(propan-2-ylamino)pyrrolo[3,2-d]pyrimidin-5-yl]-1H-pyridin-2-one
CID 158058201
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidine
CID 159454780
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
CID 135129317
N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 145257094
2-N-(3-methyl-1,2-thiazol-5-yl)-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129106
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 157097057) is N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine is Cc1cc(Cc2nc(NC3CCN(C)CC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is FYVIERRLZKODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8S/c1-14-10-17(30-26-14)11-19-24-18-6-9-29(16-12-22-28(3)13-16)20(18)21(25-19)23-15-4-7-27(2)8-5-15/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,24,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 422.56 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157097057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).