2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide

C26H23FN6O2 — CID 156543986

IUPAC2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(-n4ccc(N)nc4=O)c3)nc3c2CCC3)cc1
InChIInChI=1S/C26H23FN6O2/c27-17-11-16(12-19(13-17)33-9-8-24(28)32-26(33)35)22-14-23(20-2-1-3-21(20)31-22)30-18-6-4-15(5-7-18)10-25(29)34/h4-9,11-14H,1-3,10H2,(H2,29,34)(H,30,31)(H2,28,32,35)
InChIKeyBRSFJNAQGJTFBH-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.28
Rot. Bonds6

About 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide

2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (PubChem CID 156543986) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
PubChem CID156543986
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(-n4ccc(N)nc4=O)c3)nc3c2CCC3)cc1
InChIInChI=1S/C26H23FN6O2/c27-17-11-16(12-19(13-17)33-9-8-24(28)32-26(33)35)22-14-23(20-2-1-3-21(20)31-22)30-18-6-4-15(5-7-18)10-25(29)34/h4-9,11-14H,1-3,10H2,(H2,29,34)(H,30,31)(H2,28,32,35)
InChIKeyBRSFJNAQGJTFBH-UHFFFAOYSA-N
XLogP3.28
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-[4-[[2-[3,5-bis(4-amino-2-oxopyrimidin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
CID 167222205
2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
CID 90338497
2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol;hydrochloride
CID 90110516
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
CID 163659362
1-[4-[[2-(5-chloro-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-2-one
CID 161151882
ethyl 2-[4-[(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]acetate
CID 118037309
2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 74221039
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439
3-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-1-ol;hydrochloride
CID 118037249
2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 131966721
2-phenyl-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 139663457
2-(5-chlorothiophen-2-yl)-N-(4-prop-2-ynylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 121341237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (CID 156543986) is 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(-n4ccc(N)nc4=O)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The InChIKey is BRSFJNAQGJTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-17-11-16(12-19(13-17)33-9-8-24(28)32-26(33)35)22-14-23(20-2-1-3-21(20)31-22)30-18-6-4-15(5-7-18)10-25(29)34/h4-9,11-14H,1-3,10H2,(H2,29,34)(H,30,31)(H2,28,32,35).
What are the key properties of 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide has a molecular weight of 470.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-fluorophenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 156543986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).