2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide

C20H21FN6O2 — CID 90012848

IUPAC2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide
SMILESCOc1c(N)nc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1CC(N)=O
InChIInChI=1S/C20H21FN6O2/c1-29-18-14(9-16(22)28)24-20(25-19(18)23)17-12-6-4-8-15(12)27(26-17)10-11-5-2-3-7-13(11)21/h2-3,5,7H,4,6,8-10H2,1H3,(H2,22,28)(H2,23,24,25)
InChIKeyONIYTAXEKKQPER-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.63
Rot. Bonds6

About 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide

2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide (PubChem CID 90012848) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide
PubChem CID90012848
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide
SMILESCOc1c(N)nc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1CC(N)=O
InChIInChI=1S/C20H21FN6O2/c1-29-18-14(9-16(22)28)24-20(25-19(18)23)17-12-6-4-8-15(12)27(26-17)10-11-5-2-3-7-13(11)21/h2-3,5,7H,4,6,8-10H2,1H3,(H2,22,28)(H2,23,24,25)
InChIKeyONIYTAXEKKQPER-UHFFFAOYSA-N
XLogP1.63
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
CID 53391158
N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide
CID 153407857
4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
CID 123321161
ethyl 4-[[5-(2-ethoxycarbonylphenoxy)-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 90655893
ethyl 5,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-(trideuterio(113C)methyl)carbamate
CID 76974688
[[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]amino] propanoate
CID 174450727
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634902
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-amine
CID 90012678
2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-methylcarbamic acid;hydrochloride
CID 66682905
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide?
The IUPAC name of 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide (CID 90012848) is 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide is COc1c(N)nc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1CC(N)=O.
What is the InChIKey of 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide?
The InChIKey is ONIYTAXEKKQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-29-18-14(9-16(22)28)24-20(25-19(18)23)17-12-6-4-8-15(12)27(26-17)10-11-5-2-3-7-13(11)21/h2-3,5,7H,4,6,8-10H2,1H3,(H2,22,28)(H2,23,24,25).
What are the key properties of 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide?
2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide is sourced from PubChem (CID 90012848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).