7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C20H18FN7OS — CID 137350638

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C20H18FN7OS/c21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27/h2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29)
InChIKeyZYMKWPRTBJQRAT-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.94
Rot. Bonds6

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 137350638) has the molecular formula C20H18FN7OS and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID137350638
Molecular FormulaC20H18FN7OS
Molecular Weight423.48 g/mol
Exact Mass423.13
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C20H18FN7OS/c21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27/h2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29)
InChIKeyZYMKWPRTBJQRAT-UHFFFAOYSA-N
XLogP2.94
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083893
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083895
N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)acetamide
CID 25263292
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]ethanone
CID 117739228
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-(4-chloropyrazol-1-yl)ethanone
CID 117739261
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 117740035
N-methyl-2-[(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 25093452
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)-1,2,3-thiadiazole-4-carboxamide
CID 25263296
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 137350638) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is ZYMKWPRTBJQRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7OS/c21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27/h2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 137350638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).