[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone

C26H23FN6O — CID 177374063

IUPAC[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)c1)N1CCNCC1
InChIInChI=1S/C26H23FN6O/c27-20-4-7-23-18(15-20)8-11-33(23)25-24-22(29-16-30-25)6-5-21(31-24)17-2-1-3-19(14-17)26(34)32-12-9-28-10-13-32/h1-7,14-16,28H,8-13H2
InChIKeyLRFZYWGMOLOLPZ-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.57
Rot. Bonds3

About [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone

[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 177374063) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID177374063
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)c1)N1CCNCC1
InChIInChI=1S/C26H23FN6O/c27-20-4-7-23-18(15-20)8-11-33(23)25-24-22(29-16-30-25)6-5-21(31-24)17-2-1-3-19(14-17)26(34)32-12-9-28-10-13-32/h1-7,14-16,28H,8-13H2
InChIKeyLRFZYWGMOLOLPZ-UHFFFAOYSA-N
XLogP3.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone
CID 177374055
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 151400903
[2-[3,5-bis(trifluoromethyl)phenyl]quinolin-6-yl]-piperazin-1-ylmethanone
CID 58874526
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid
CID 141340600
[2-[1-[(5,6-diaminopyrimidin-4-yl)amino]ethyl]-6-fluoro-3-phenylquinolin-4-yl]-piperazin-1-ylmethanone
CID 70814226

Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone (CID 177374063) is [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone is O=C(c1cccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)c1)N1CCNCC1.
What is the InChIKey of [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is LRFZYWGMOLOLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-20-4-7-23-18(15-20)8-11-33(23)25-24-22(29-16-30-25)6-5-21(31-24)17-2-1-3-19(14-17)26(34)32-12-9-28-10-13-32/h1-7,14-16,28H,8-13H2.
What are the key properties of [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone?
[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 454.51 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 177374063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).