2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C19H15N7S — CID 87057342

IUPAC2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1ccc(CCc2nc3c(Nc4cc5cn[nH]c5cn4)ncnc3s2)cc1
InChIInChI=1S/C19H15N7S/c1-2-4-12(5-3-1)6-7-16-25-17-18(21-11-22-19(17)27-16)24-15-8-13-9-23-26-14(13)10-20-15/h1-5,8-11H,6-7H2,(H,23,26)(H,20,21,22,24)
InChIKeyVRHJCVLYUUPMHK-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 87057342) has the molecular formula C19H15N7S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID87057342
Molecular FormulaC19H15N7S
Molecular Weight373.44 g/mol
Exact Mass373.11
IUPAC Name2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1ccc(CCc2nc3c(Nc4cc5cn[nH]c5cn4)ncnc3s2)cc1
InChIInChI=1S/C19H15N7S/c1-2-4-12(5-3-1)6-7-16-25-17-18(21-11-22-19(17)27-16)24-15-8-13-9-23-26-14(13)10-20-15/h1-5,8-11H,6-7H2,(H,23,26)(H,20,21,22,24)
InChIKeyVRHJCVLYUUPMHK-UHFFFAOYSA-N
XLogP3.89
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146662578
ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate
CID 90390921
11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 118543089
benzyl N-[2-[7-(benzylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl]carbamate
CID 146662421
2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 123757583
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
N,N-bis(2-methoxyethyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 140720830
4-(1H-indazol-5-ylamino)-N-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 72695336
2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 11529827
2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146662473
[4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-benzylcarbamate
CID 121408413
2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641006

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 87057342) is 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is c1ccc(CCc2nc3c(Nc4cc5cn[nH]c5cn4)ncnc3s2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is VRHJCVLYUUPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7S/c1-2-4-12(5-3-1)6-7-16-25-17-18(21-11-22-19(17)27-16)24-15-8-13-9-23-26-14(13)10-20-15/h1-5,8-11H,6-7H2,(H,23,26)(H,20,21,22,24).
What are the key properties of 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 373.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 87057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).