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

C23H29N9S — CID 135129156

IUPAC5-(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
SMILESCc1cc(Nc2nc(NC3CC(N4CCCCC4)C3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C23H29N9S/c1-15-10-20(33-29-15)27-23-26-19-6-9-32(18-13-24-30(2)14-18)21(19)22(28-23)25-16-11-17(12-16)31-7-4-3-5-8-31/h6,9-10,13-14,16-17H,3-5,7-8,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyGMSOZYSZTLZWJS-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.09
Rot. Bonds6

About 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

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 (PubChem CID 135129156) has the molecular formula C23H29N9S and a molecular weight of 463.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID135129156
Molecular FormulaC23H29N9S
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name5-(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
SMILESCc1cc(Nc2nc(NC3CC(N4CCCCC4)C3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C23H29N9S/c1-15-10-20(33-29-15)27-23-26-19-6-9-32(18-13-24-30(2)14-18)21(19)22(28-23)25-16-11-17(12-16)31-7-4-3-5-8-31/h6,9-10,13-14,16-17H,3-5,7-8,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyGMSOZYSZTLZWJS-UHFFFAOYSA-N
XLogP4.09
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
Aurora inhibitor 1
CID 51003133
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
CID 11566279
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 16666228
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
3-[(3-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145424
3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145568
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 44177727

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(NC3CC(N4CCCCC4)C3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of 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?
The InChIKey is GMSOZYSZTLZWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9S/c1-15-10-20(33-29-15)27-23-26-19-6-9-32(18-13-24-30(2)14-18)21(19)22(28-23)25-16-11-17(12-16)31-7-4-3-5-8-31/h6,9-10,13-14,16-17H,3-5,7-8,11-12H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 463.62 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135129156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).