2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide

C21H21FN6O2 — CID 157030372

IUPAC2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cc(F)ccn3)nc3c2CCC3)cn1
InChIInChI=1S/C21H21FN6O2/c1-28(12-18(29)25-14-6-7-19(30-2)24-11-14)21-15-4-3-5-16(15)26-20(27-21)17-10-13(22)8-9-23-17/h6-11H,3-5,12H2,1-2H3,(H,25,29)
InChIKeyMHHMFZRIMIOFDP-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.64
Rot. Bonds6

About 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide

2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 157030372) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID157030372
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cc(F)ccn3)nc3c2CCC3)cn1
InChIInChI=1S/C21H21FN6O2/c1-28(12-18(29)25-14-6-7-19(30-2)24-11-14)21-15-4-3-5-16(15)26-20(27-21)17-10-13(22)8-9-23-17/h6-11H,3-5,12H2,1-2H3,(H,25,29)
InChIKeyMHHMFZRIMIOFDP-UHFFFAOYSA-N
XLogP2.64
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide with MolForge

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Related Compounds

N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157030194
N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 170208164
N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029518
2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide
CID 166817247
N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029408
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
CID 157030240
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382
2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030010
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
CID 166817040
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029369
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide (CID 157030372) is 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CN(C)c2nc(-c3cc(F)ccn3)nc3c2CCC3)cn1.
What is the InChIKey of 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is MHHMFZRIMIOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-28(12-18(29)25-14-6-7-19(30-2)24-11-14)21-15-4-3-5-16(15)26-20(27-21)17-10-13(22)8-9-23-17/h6-11H,3-5,12H2,1-2H3,(H,25,29).
What are the key properties of 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide?
2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 157030372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).