3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene

C20H25FN6 — CID 130358634

IUPAC3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene
SMILESCN1CCNCCN(C)c2ccn3ncc(c3n2)-c2cc(ccc2F)CC1
InChIInChI=1S/C20H25FN6/c1-25-9-5-15-3-4-18(21)16(13-15)17-14-23-27-10-6-19(24-20(17)27)26(2)12-8-22-7-11-25/h3-4,6,10,13-14,22H,5,7-9,11-12H2,1-2H3
InChIKeyPOVRJAMWSHOKSG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.05
Rot. Bonds

About 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene

3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene (PubChem CID 130358634) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene.

Molecular Properties

Compound Name3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene
PubChem CID130358634
Molecular FormulaC20H25FN6
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene
SMILESCN1CCNCCN(C)c2ccn3ncc(c3n2)-c2cc(ccc2F)CC1
InChIInChI=1S/C20H25FN6/c1-25-9-5-15-3-4-18(21)16(13-15)17-14-23-27-10-6-19(24-20(17)27)26(2)12-8-22-7-11-25/h3-4,6,10,13-14,22H,5,7-9,11-12H2,1-2H3
InChIKeyPOVRJAMWSHOKSG-UHFFFAOYSA-N
XLogP2.05
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9S)-3-fluoro-11,17-dimethyl-7-oxa-11,14,17,21,22,25-hexazapentacyclo[16.5.2.12,6.09,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene
CID 130354021
3-fluoro-11,14,18,19,22-pentazapentacyclo[13.5.2.28,11.12,6.018,21]pentacosa-1(21),2,4,6(25),15(22),16,19-heptaene
CID 145044035
3-fluoro-7-oxa-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene
CID 137210892
3-fluoro-7-oxa-13,16,20,21,24-pentazatetracyclo[15.5.2.12,6.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaene
CID 137210898
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121395278
6-fluoro-2-methyl-10-thia-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 118265538
(9S)-5-chloro-3-fluoro-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),2(25),3,5,17(24),18,21-heptaene;(9S,15R)-3-fluoro-20-methyl-7-oxa-11,17,20,24,25,28-hexazahexacyclo[19.5.2.12,6.09,17.011,15.024,27]nonacosa-1(27),2,4,6(29),21(28),22,25-heptaene;(9S,15R)-3-fluoro-7-oxa-11,17,20,24,25,28-hexazahexacyclo[19.5.2.12,6.09,17.011,15.024,27]nonacosa-1(27),2,4,6(29),21(28),22,25-heptaene;(8R)-3-fluoro-7-oxa-10,13,16,20,21,24-hexazapentacyclo[15.5.2.12,6.18,13.020,23]hexacosa-1(23),2,4,6(26),17(24),18,21-heptaene
CID 161140913
4-fluoro-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-3-yl]aniline
CID 145043848
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-(4-methylpiperazin-1-yl)-3H-indole-5-carbonitrile
CID 163825377
methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene
CID 174760536
3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
CID 176941983
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 121394926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene?
The IUPAC name of 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene (CID 130358634) is 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene.
What is the SMILES notation for 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene?
The canonical SMILES for 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene is CN1CCNCCN(C)c2ccn3ncc(c3n2)-c2cc(ccc2F)CC1.
What is the InChIKey of 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene?
The InChIKey is POVRJAMWSHOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6/c1-25-9-5-15-3-4-18(21)16(13-15)17-14-23-27-10-6-19(24-20(17)27)26(2)12-8-22-7-11-25/h3-4,6,10,13-14,22H,5,7-9,11-12H2,1-2H3.
What are the key properties of 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene?
3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene has a molecular weight of 368.46 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene is sourced from PubChem (CID 130358634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).